<tools xmlns="biotoolsSchema" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="biotoolsSchema file:///E:/repos/GitHub/biotoolsShim/genericxml2xml/versions/biotools-3.3.0/biotools_3.3.0.xsd"><tool><name>pathway-subtyping</name><description>Disease-agnostic Python framework for discovering molecular subtypes using pathway-level analysis and Gaussian mixture model clustering with built-in validation gates</description><homepage>https://codeberg.org/pathways/pathway-subtyping-framework</homepage><biotoolsID>pathway-subtyping</biotoolsID><biotoolsCURIE>biotools:pathway-subtyping</biotoolsCURIE><version>0.4.0</version><version>0.3.1</version><version>0.5.0</version><toolType>Library</toolType><toolType>Command-line tool</toolType><topic><uri>http://edamontology.org/topic_3391</uri><term>Omics</term></topic><topic><uri>http://edamontology.org/topic_3307</uri><term>Computational biology</term></topic><topic><uri>http://edamontology.org/topic_3474</uri><term>Machine learning</term></topic><topic><uri>http://edamontology.org/topic_4019</uri><term>Biosciences</term></topic><operatingSystem>Windows</operatingSystem><operatingSystem>Mac</operatingSystem><operatingSystem>Linux</operatingSystem><language>Python</language><license>MIT</license><maturity>Mature</maturity><cost>Free of charge</cost><accessibility>Open access</accessibility><function><operation><uri>http://edamontology.org/operation_3432</uri><term>Clustering</term></operation><operation><uri>http://edamontology.org/operation_2945</uri><term>Data analysis</term></operation><operation><uri>http://edamontology.org/operation_2495</uri><term>Expression analysis</term></operation></function><link><url>https://pypi.org/project/pathway-subtyping/</url><type>Software catalogue</type><note>Python Library Repository</note></link><link><url>https://codeberg.org/pathways/pathway-subtyping-framework/src/branch/main/docs</url><type>Other</type><note>Documentation</note></link><link><url>https://codeberg.org/pathways/pathway-subtyping-framework</url><type>Other</type><note>Source code repository</note></link><download><url>https://pypi.org/project/pathway-subtyping/</url><type>Software package</type><note>pip install pathway-subtyping
Or with all extras:
pip install pathway-subtyping[viz,graph]</note><version>0.3.1</version></download><documentation><url>https://codeberg.org/pathways/pathway-subtyping-framework/src/branch/main/docs</url><type>User manual</type></documentation><publication><doi>10.21203/rs.3.rs-8913089/v1</doi><type>Preprint</type><note>Title: Pathway-Based Molecular Subtyping Reveals a GABA-Collapsed Autism Subgroup and Cross-Disease Convergence with Schizophrenia in Human Cerebral Cortex</note></publication></tool><tool><name>SLiM</name><description>Evolutionary simulation framework that combines a powerful engine for population genetic simulations with the capability of modeling arbitrarily complex evolutionary scenarios.  Includes a graphical modeling environment.</description><homepage>https://messerlab.org/slim/</homepage><biotoolsID>SLiM_software</biotoolsID><biotoolsCURIE>biotools:SLiM_software</biotoolsCURIE><version>5.2</version><toolType>Command-line tool</toolType><toolType>Desktop application</toolType><topic><uri>http://edamontology.org/topic_0610</uri><term>Ecology</term></topic><topic><uri>http://edamontology.org/topic_0602</uri><term>Molecular interactions, pathways and networks</term></topic><topic><uri>http://edamontology.org/topic_0199</uri><term>Genetic variation</term></topic><topic><uri>http://edamontology.org/topic_3299</uri><term>Evolutionary biology</term></topic><operatingSystem>Windows</operatingSystem><operatingSystem>Linux</operatingSystem><operatingSystem>Mac</operatingSystem><language>C++</language><license>GPL-3.0</license><maturity>Mature</maturity><cost>Free of charge</cost><accessibility>Open access</accessibility><function><operation><uri>http://edamontology.org/operation_0230</uri><term>Sequence generation</term></operation><operation><uri>http://edamontology.org/operation_0550</uri><term>DNA substitution modelling</term></operation><operation><uri>http://edamontology.org/operation_3946</uri><term>Ecological modelling</term></operation><note>Run individual-based eco-evolutionary simulations with explicit genetics</note></function><link><url>https://messerlab.org/slim/</url><type>Software catalogue</type><note>SLiM home page in the Messer Lab website</note></link><link><url>https://github.com/MesserLab/SLiM</url><type>Repository</type><note>GitHub repository for SLiM</note></link><link><url>https://groups.google.com/g/slim-discuss</url><type>Discussion forum</type><note>Discussion forum for SLiM questions</note></link><link><url>https://groups.google.com/g/slim-announce</url><type>Mailing list</type><note>Announcements mailing list</note></link><download><url>http://benhaller.com/slim/SLiM.zip</url><type>Source code</type><note>A source archive for the command-line `slim` tool only.  Complete source code is on GitHub, but most platforms have an installer anyway; see the manual, chapter 2, for installation instructions.</note></download><download><url>https://github.com/MesserLab/SLiM/releases/latest</url><type>Downloads page</type><note>The GitHub page for the current release version, to obtain full source code.</note></download><documentation><url>http://benhaller.com/slim/SLiM_Manual.pdf</url><type>User manual</type><note>The manual for SLiM itself</note></documentation><documentation><url>http://benhaller.com/slim/Eidos_Manual.pdf</url><type>User manual</type><note>The manual for Eidos, the scripting language used by SLiM</note></documentation><documentation><url>http://benhaller.com/slim/SLiMEidosRefSheets.zip</url><type>Quick start guide</type><note>Quick reference sheets for SLiM and Eidos</note></documentation><publication><doi>10.1093/molbev/msy228</doi><pmid>30517680</pmid><pmcid>PMC6389312</pmcid><type>Primary</type><version>3.0</version><note>B.C. Haller, P.W. Messer. (2019). SLiM 3: Forward genetic simulations beyond the Wright&#8211;Fisher Model. Molecular Biology and Evolution 36(3), 632&#8211;637.</note></publication><publication><doi>10.1093/molbev/msy237</doi><pmid>30590560</pmid><pmcid>PMC6501880</pmcid><type>Method</type><version>3.0</version><note>B.C. Haller, P.W. Messer. (2019). Evolutionary modeling in SLiM 3 for beginners. Molecular Biology and Evolution 36(5), 1101&#8211;1109.</note></publication><publication><doi>10.1111/1755-0998.12968</doi><pmid>30565882</pmid><pmcid>PMC6393187</pmcid><type>Primary</type><version>3.0</version><note>B.C. Haller, J. Galloway, J. Kelleher, P.W. Messer, P.L. Ralph. (2019). Tree-sequence recording in SLiM opens new horizons for forward-time simulation of whole genomes. Molecular Ecology Resources 19(2), 552&#8211;566.</note></publication><publication><doi>10.1101/2025.08.07.669155</doi><pmid>40832315</pmid><pmcid>PMC12363870</pmcid><type>Primary</type><version>5.0</version><note>BC Haller, PL Ralph, PW Messer. (2025). SLiM 5: Eco-evolutionary simulations across multiple chromosomes and full genomes. bioRxiv, 2025.08. 07.669155</note></publication><publication><doi>10.1086/723601</doi><pmid>37130229</pmid><pmcid>PMC10793872</pmcid><type>Primary</type><version>4.0</version><note>B.C. Haller, P.W. Messer. (2023). SLiM 4: Multispecies eco-evolutionary modeling. The American Naturalist 201(5), E127&#8211;E139.</note></publication><credit><name>Philipp Messer</name><email>messer@cornell.edu</email><url>https://messerlab.org</url><orcidid>https://orcid.org/0000-0001-8453-9377</orcidid><typeEntity>Person</typeEntity><typeRole>Primary contact</typeRole></credit><credit><name>Benjamin C. Haller</name><email>bhaller@benhaller.com</email><url>http://benhaller.com</url><orcidid>https://orcid.org/0000-0003-1874-8327</orcidid><typeEntity>Person</typeEntity><typeRole>Primary contact</typeRole></credit></tool><tool><name>covsnap</name><description>Coverage inspector for targeted sequencing QC (hg38)</description><homepage>https://github.com/enes-ak/covsnap</homepage><biotoolsID>covsnap</biotoolsID><biotoolsCURIE>biotools:covsnap</biotoolsCURIE><version>0.3.0</version><toolType>Desktop application</toolType><toolType>Command-line tool</toolType><topic><uri>http://edamontology.org/topic_0080</uri><term>Sequence analysis</term></topic><topic><uri>http://edamontology.org/topic_3572</uri><term>Data quality management</term></topic><operatingSystem>Mac</operatingSystem><operatingSystem>Windows</operatingSystem><operatingSystem>Linux</operatingSystem><language>Python</language><license>Other</license><maturity>Emerging</maturity><cost>Free of charge</cost><accessibility>Open access</accessibility><function><operation><uri>http://edamontology.org/operation_3180</uri><term>Sequence assembly validation</term></operation><input><data><uri>http://edamontology.org/data_1383</uri><term>Nucleic acid sequence alignment</term></data><format><uri>http://edamontology.org/format_2572</uri><term>BAM</term></format></input><output><data><uri>http://edamontology.org/data_3914</uri><term>Quality control report</term></data><format><uri>http://edamontology.org/format_2331</uri><term>HTML</term></format></output><cmd>covsnap sample.bam BRCA1,TP53,ETFDH --exons</cmd></function><link><url>https://pypi.org/project/covsnap/</url><type>Repository</type><note>Install with: pip install covsnap</note></link><link><url>https://github.com/enes-ak/covsnap</url><type>Repository</type><note>github repository</note></link><link><url>https://anaconda.org/channels/bioconda/packages/covsnap/overview</url><type>Repository</type><note>Install with: conda install -c bioconda covsnap</note></link><download><url>https://pypi.org/project/covsnap/</url><type>Downloads page</type><note>pip install covsnap</note><version>0.3.0</version></download><download><url>https://anaconda.org/channels/bioconda/packages/covsnap/overview</url><type>Downloads page</type><note>https://anaconda.org/channels/bioconda/packages/covsnap/overview</note></download><documentation><url>https://github.com/enes-ak/covsnap/blob/master/README.md</url><type>General</type></documentation><credit><name>Enes Ak</name><email>akenes96@gmail.com</email><orcidid>https://orcid.org/0000-0001-5931-730X</orcidid><typeRole>Developer</typeRole></credit></tool><tool><name>SAMBO Optimization</name><description>Sequential and model-based optimization for Python with state-of-the-art performance.</description><homepage>https://sambo-optimization.github.io/</homepage><biotoolsID>sambo_sequential_model-based_optimization</biotoolsID><biotoolsCURIE>biotools:sambo_sequential_model-based_optimization</biotoolsCURIE><version>v1.25.2</version><toolType>Library</toolType><topic><uri>http://edamontology.org/topic_3569</uri><term>Applied mathematics</term></topic><topic><uri>http://edamontology.org/topic_0092</uri><term>Data visualisation</term></topic><topic><uri>http://edamontology.org/topic_3474</uri><term>Machine learning</term></topic><license>AGPL-3.0</license><maturity>Mature</maturity><cost>Free of charge</cost><accessibility>Open access</accessibility><function><operation><uri>http://edamontology.org/operation_2425</uri><term>Optimisation and refinement</term></operation></function><link><url>https://github.com/sambo-optimization/sambo</url><type>Repository</type></link><link><url>https://github.com/sambo-optimization/sambo/issues</url><type>Issue tracker</type></link><documentation><url>https://sambo-optimization.github.io/doc/sambo/</url><type>API documentation</type></documentation><publication><doi>10.5281/zenodo.14461363</doi></publication></tool><tool><name>pathotypr</name><description>A fast, offline, pathogen-agnostic toolkit for lineage classification and marker-driven genotyping from whole-genome sequencing data. Bring your own SNP marker panel for any microbial pathogen &#8212; pathotypr handles the rest. Ships with curated panels for Mycobacterium tuberculosis complex (MTBC): 3,707 lineage-defining SNPs and over 102,000 resistance-associated mutations. Works with assembled genomes (FASTA) and raw reads (FASTQ). Available as command-line interface and cross-platform desktop GUI (Tauri).</description><homepage>https://github.com/PathoGenOmics-Lab/pathotypr</homepage><biotoolsID>pathotypr</biotoolsID><biotoolsCURIE>biotools:pathotypr</biotoolsCURIE><version>1.0.0</version><toolType>Command-line tool</toolType><toolType>Desktop application</toolType><topic><uri>http://edamontology.org/topic_0622</uri><term>Genomics</term></topic><topic><uri>http://edamontology.org/topic_3301</uri><term>Microbiology</term></topic><topic><uri>http://edamontology.org/topic_0625</uri><term>Genotype and phenotype</term></topic><topic><uri>http://edamontology.org/topic_3168</uri><term>Sequencing</term></topic><topic><uri>http://edamontology.org/topic_3305</uri><term>Public health and epidemiology</term></topic><topic><uri>http://edamontology.org/topic_3474</uri><term>Machine learning</term></topic><language>Rust</language><license>AGPL-3.0</license><maturity>Mature</maturity><cost>Free of charge</cost><accessibility>Open access</accessibility><function><operation><uri>http://edamontology.org/operation_3196</uri><term>Genotyping</term></operation><input><data><uri>http://edamontology.org/data_2044</uri><term>Sequence</term></data><format><uri>http://edamontology.org/format_1929</uri><term>FASTA</term></format></input><output><data><uri>http://edamontology.org/data_0920</uri><term>Genotype/phenotype report</term></data><format><uri>http://edamontology.org/format_3475</uri><term>TSV</term></format></output><note>train &#8212; Build a Random Forest classifier from labeled genomes.</note></function><function><operation><uri>http://edamontology.org/operation_3225</uri><term>Variant classification</term></operation><input><data><uri>http://edamontology.org/data_2044</uri><term>Sequence</term></data><format><uri>http://edamontology.org/format_1929</uri><term>FASTA</term></format></input><output><data><uri>http://edamontology.org/data_0920</uri><term>Genotype/phenotype report</term></data><format><uri>http://edamontology.org/format_3475</uri><term>TSV</term></format></output><note>predict &#8212; Assign lineages to genomes using a pre-trained Random Forest model.</note></function><function><operation><uri>http://edamontology.org/operation_3196</uri><term>Genotyping</term></operation><operation><uri>http://edamontology.org/operation_3225</uri><term>Variant classification</term></operation><input><data><uri>http://edamontology.org/data_2044</uri><term>Sequence</term></data><format><uri>http://edamontology.org/format_1929</uri><term>FASTA</term></format></input><output><data><uri>http://edamontology.org/data_0920</uri><term>Genotype/phenotype report</term></data><format><uri>http://edamontology.org/format_3475</uri><term>TSV</term></format></output><note>classify &#8212; Call known SNP markers in assembled genomes against a user-defined marker panel.</note></function><function><operation><uri>http://edamontology.org/operation_3196</uri><term>Genotyping</term></operation><input><data><uri>http://edamontology.org/data_2044</uri><term>Sequence</term></data><format><uri>http://edamontology.org/format_1930</uri><term>FASTQ</term></format></input><output><data><uri>http://edamontology.org/data_0920</uri><term>Genotype/phenotype report</term></data><format><uri>http://edamontology.org/format_3475</uri><term>TSV</term></format></output><note>split-fastq &#8212; Alignment-free genotyping directly from raw reads using k-mer matching.</note></function><function><operation><uri>http://edamontology.org/operation_0346</uri><term>Sequence similarity search</term></operation><input><data><uri>http://edamontology.org/data_2044</uri><term>Sequence</term></data><format><uri>http://edamontology.org/format_1930</uri><term>FASTQ</term></format></input><output><data><uri>http://edamontology.org/data_0920</uri><term>Genotype/phenotype report</term></data><format><uri>http://edamontology.org/format_3475</uri><term>TSV</term></format></output><note>match &#8212; Find the closest reference genome from a set of references for raw reads.</note></function><download><url>https://github.com/PathoGenOmics-Lab/pathotypr/releases</url><type>Binaries</type></download><download><url>https://github.com/PathoGenOmics-Lab/pathotypr</url><type>Source code</type></download><documentation><url>https://github.com/PathoGenOmics-Lab/pathotypr/tree/main/docs</url><type>User manual</type></documentation><publication><doi>10.64898/2026.03.24.714002</doi><type>Primary</type></publication><credit><name>Paula Ruiz-Rodriguez</name><orcidid>https://orcid.org/0000-0003-0727-5974</orcidid><typeEntity>Person</typeEntity><typeRole>Developer</typeRole><typeRole>Maintainer</typeRole></credit><credit><name>Mireia Coscolla</name><orcidid>https://orcid.org/0000-0003-0752-0538</orcidid><typeEntity>Person</typeEntity><typeRole>Primary contact</typeRole></credit><credit><name>I2SysBio (CSIC - Universitat de Val&#232;ncia)</name><typeEntity>Institute</typeEntity><typeRole>Provider</typeRole></credit><credit><name>PathoGenOmics Lab</name><typeEntity>Division</typeEntity><typeRole>Provider</typeRole></credit></tool><tool><name>EUCAIM ETL toolset</name><description>Modular toolchain for an extensible and customizable ETL pipeline that extracts, transforms, and loads clinical data and medical imaging metadata, applying dataset-specific mappings to generate outputs compatible with the EUCAIM Common Data Model (CDM). Its design aims to minimize manual data preparation efforts and facilitate customization and integration with other components, such as data quality assurance tools.
Containerized, currently supports input datasets in CSV, JSON, XLSX.</description><homepage>https://github.com/EUCAIM/etl-toolset/</homepage><biotoolsID>eetl_toolset</biotoolsID><biotoolsCURIE>biotools:eetl_toolset</biotoolsCURIE><version>0.1.1</version><version>0.1.2</version><version>0.2.1</version><toolType>Library</toolType><toolType>Workflow</toolType><topic><uri>http://edamontology.org/topic_3345</uri><term>Data identity and mapping</term></topic><topic><uri>http://edamontology.org/topic_0769</uri><term>Workflows</term></topic><operatingSystem>Linux</operatingSystem><operatingSystem>Windows</operatingSystem><language>Java</language><language>Python</language><license>Apache-2.0</license><collectionID>EUCAIM</collectionID><maturity>Emerging</maturity><cost>Free of charge</cost><accessibility>Open access (with restrictions)</accessibility><elixirPlatform>Tools</elixirPlatform><elixirNode>Spain</elixirNode><function><operation><uri>http://edamontology.org/operation_0335</uri><term>Data formatting</term></operation></function><function><operation><uri>http://edamontology.org/operation_3431</uri><term>Data deposition</term></operation></function><function><operation><uri>http://edamontology.org/operation_0336</uri><term>Format validation</term></operation></function><link><url>https://github.com/EUCAIM/etl-toolset/</url><type>Repository</type></link><documentation><url>https://docs.google.com/document/d/1QNiqAvVVVsg_3-YuUp1YGNWwakL8yap-</url><type>General</type><note>Tool documentation from EUCAIM WP5 Task Force 2 effort</note></documentation><relation><biotoolsID>tabular_data_curator</biotoolsID><type>uses</type></relation></tool><tool><name>Autoencoder_RF_TabPFN for Cross-Cancer Metabolomics</name><description>Accurate and rapid disease diagnosis, particularly in prostate cancer (PC) and breast cancer (BC), is critical for early intervention and improved patient outcomes. Metabolomic signatures represent a robust molecular framework for elucidating cancer-associated biochemical reprogramming. The use of Artificial Intelligence (AI) in biology in recent years has become widespread and promising. This study introduces a novel predictive method that integrates an Autoencoder, random forest based feature selection and Tabular Prior-data Fitted Network (TabPFN) to achieve high diagnostic accuracy from metabolomics data of prostate and breast cancer patients.</description><homepage>https://github.com/SvenHauns/metabolomic_classifier.git</homepage><biotoolsID>autoencoder_rf_tabpfn_for_cross-cancer_metabolomics</biotoolsID><biotoolsCURIE>biotools:autoencoder_rf_tabpfn_for_cross-cancer_metabolomics</biotoolsCURIE><toolType>Command-line tool</toolType><topic><uri>http://edamontology.org/topic_2815</uri><term>Human biology</term></topic><topic><uri>http://edamontology.org/topic_0091</uri><term>Bioinformatics</term></topic><topic><uri>http://edamontology.org/topic_3474</uri><term>Machine learning</term></topic><language>Python</language><license>MIT</license><maturity>Emerging</maturity><cost>Free of charge</cost><accessibility>Open access</accessibility><function><operation><uri>http://edamontology.org/operation_2990</uri><term>Classification</term></operation><cmd>python main.py --dataset {dataset_to_be_used} --setting {ae or rf} --size {size}

python main.py --test_dataset {./data/toy_predict.csv} --dataset {./data/toy_train.csv} --predict True --setting {ae or rf} --size {size}

see Readme for detailed instructions</cmd></function><link><url>https://github.com/SvenHauns/metabolomic_classifier.git</url><type>Repository</type></link><download><url>https://github.com/SvenHauns/metabolomic_classifier.git</url><type>Source code</type></download><documentation><url>https://github.com/SvenHauns/metabolomic_classifier.git</url><type>User manual</type></documentation><credit><name>Sven Hauns</name><email>haunss@informatik.uni-freiburg.de</email><typeEntity>Person</typeEntity><typeRole>Contributor</typeRole></credit></tool><tool><name>Gromacs</name><description>Versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. 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It applies a Difference of Gaussian filter to detect potential binding pockets and splits them into sub-pockets. The method solely uses the 3D structure of the protein. Global properties, describing the size, shape, and chemical features of the predicted (sub-)pockets, are calculated. Per default, a simple druggability score based on a linear combination of the three descriptors describing volume, hydrophobicity, and enclosure is provided for each (sub-)pocket. Furthermore, a subset of meaningful descriptors is incorporated in a support vector machine (libsvm) to predict the (sub-)pocket druggability score (values are between zero and one). 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Based on individually designed queries, users can search for spatial interaction patterns in huge collections of protein-ligand complexes and binding pockets. The regularly updated GeoMine database relies on the free database systems SQLite and PostgreSQL. It supports radius-based pockets (based on ligands and predicted pockets (based on DoGSite3) for query generation. The query management is based on XML (for the REST service) or JSON in the GUI mode. 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It adds missing hydrogen atoms to protein structures and detects reasonable protonation states, tautomeric states, and hydrogen coordinates of both protein and ligand molecules by optimizing the hydrogen bond network.</description><homepage>https://www.zbh.uni-hamburg.de/en/forschung/amd/software/protoss.html</homepage><biotoolsID>protoss</biotoolsID><biotoolsCURIE>biotools:protoss</biotoolsCURIE><toolType>Web API</toolType><toolType>Web service</toolType><topic><uri>http://edamontology.org/topic_0128</uri><term>Protein interactions</term></topic><topic><uri>http://edamontology.org/topic_0602</uri><term>Molecular interactions, pathways and networks</term></topic><topic><uri>http://edamontology.org/topic_1317</uri><term>Structural biology</term></topic><topic><uri>http://edamontology.org/topic_0091</uri><term>Bioinformatics</term></topic><topic><uri>http://edamontology.org/topic_2275</uri><term>Molecular modelling</term></topic><topic><uri>http://edamontology.org/topic_3336</uri><term>Drug discovery</term></topic><topic><uri>http://edamontology.org/topic_3534</uri><term>Protein binding sites</term></topic><topic><uri>http://edamontology.org/topic_0082</uri><term>Structure prediction</term></topic><operatingSystem>Mac</operatingSystem><operatingSystem>Linux</operatingSystem><operatingSystem>Windows</operatingSystem><license>Other</license><collectionID>de.NBI</collectionID><collectionID>de.NBI-biodata</collectionID><maturity>Mature</maturity><cost>Free of charge</cost><elixirPlatform>Tools</elixirPlatform><elixirNode>Germany</elixirNode><function><operation><uri>http://edamontology.org/operation_0394</uri><term>Hydrogen bond calculation</term></operation><operation><uri>http://edamontology.org/operation_2949</uri><term>Protein interaction analysis</term></operation><input><data><uri>http://edamontology.org/data_1460</uri><term>Protein structure</term></data><format><uri>http://edamontology.org/format_1476</uri><term>PDB</term></format></input><input><data><uri>http://edamontology.org/data_1461</uri><term>Protein-ligand complex</term></data><format><uri>http://edamontology.org/format_3814</uri><term>SDF</term></format><format><uri>http://edamontology.org/format_1476</uri><term>PDB</term></format></input><input><data><uri>http://edamontology.org/data_3021</uri><term>UniProt accession</term></data></input><output><data><uri>http://edamontology.org/data_1460</uri><term>Protein structure</term></data><format><uri>http://edamontology.org/format_1476</uri><term>PDB</term></format></output><output><data><uri>http://edamontology.org/data_1461</uri><term>Protein-ligand complex</term></data><format><uri>http://edamontology.org/format_3814</uri><term>SDF</term></format><format><uri>http://edamontology.org/format_1476</uri><term>PDB</term></format></output></function><link><url>https://proteins.plus</url><type>Service</type><note>A web service to run Protoss calculations.</note></link><link><url>https://proteins.plus/help/protoss_rest</url><type>Service</type><note>A web API to run Protoss calculations.</note></link><documentation><url>https://proteins.plus/help/index</url><type>General</type></documentation><relation><biotoolsID>geomine</biotoolsID><type>usedBy</type></relation><relation><biotoolsID>jamda</biotoolsID><type>usedBy</type></relation><publication><doi>10.1186/1758-2946-6-12</doi><pmid>24694216</pmid><pmcid>PMC4019353</pmcid><type>Primary</type></publication><publication><doi>10.1186/1758-2946-1-13</doi><pmid>20298519</pmid><pmcid>PMC3225823</pmcid><type>Other</type></publication><credit><name>ProteinsPlus Support</name><email>proteinsplus.zbh@lists.uni-hamburg.de</email><typeRole>Primary contact</typeRole><note>Primary Contact for Web Service Issues</note></credit><credit><name>University of Hamburg, ZBH - Center for Bioinformatics</name><rorid>00g30e956</rorid><typeEntity>Institute</typeEntity><typeRole>Provider</typeRole></credit></tool><tool><name>PoseEdit</name><description>PoseEdit automatically generates 2D diagrams of protein-ligand complexes, focusing on the interactions between protein and ligand. Interactions between molecules are estimated by an underlying interaction model that relies on atom types and simple geometric criteria. The structure mining tool GeoMine also uses this model to describe binding sites. In addition, users can manipulate the diagrams by translating, rotating, mirroring parts of the structure, adding additional interactions, or removing them. Furthermore, users can add individual labels or adjust available labels. 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Interactions between molecules are estimated by an underlying interaction mode that relies on atom types and simple geometric criteria. It adheres to the conventions of chemical structure diagram generation. The quality of the resulting diagrams is comparable to manually drawn examples from books and scientific publications.</description><homepage>https://www.zbh.uni-hamburg.de/en/forschung/amd/software/poseview.html</homepage><biotoolsID>poseview</biotoolsID><biotoolsCURIE>biotools:poseview</biotoolsCURIE><toolType>Web API</toolType><toolType>Web service</toolType><topic><uri>http://edamontology.org/topic_0128</uri><term>Protein interactions</term></topic><topic><uri>http://edamontology.org/topic_0092</uri><term>Data visualisation</term></topic><topic><uri>http://edamontology.org/topic_0602</uri><term>Molecular interactions, pathways and networks</term></topic><topic><uri>http://edamontology.org/topic_0091</uri><term>Bioinformatics</term></topic><topic><uri>http://edamontology.org/topic_3336</uri><term>Drug discovery</term></topic><topic><uri>http://edamontology.org/topic_2814</uri><term>Protein structure analysis</term></topic><topic><uri>http://edamontology.org/topic_3534</uri><term>Protein binding sites</term></topic><operatingSystem>Mac</operatingSystem><operatingSystem>Linux</operatingSystem><operatingSystem>Windows</operatingSystem><license>Other</license><collectionID>de.NBI</collectionID><collectionID>de.NBI-biodata</collectionID><maturity>Mature</maturity><cost>Free of charge</cost><elixirPlatform>Tools</elixirPlatform><elixirNode>Germany</elixirNode><function><operation><uri>http://edamontology.org/operation_3925</uri><term>Network visualisation</term></operation><operation><uri>http://edamontology.org/operation_0570</uri><term>Structure visualisation</term></operation><operation><uri>http://edamontology.org/operation_0248</uri><term>Residue interaction calculation</term></operation><input><data><uri>http://edamontology.org/data_1460</uri><term>Protein structure</term></data><format><uri>http://edamontology.org/format_1476</uri><term>PDB</term></format></input><input><data><uri>http://edamontology.org/data_1461</uri><term>Protein-ligand complex</term></data><format><uri>http://edamontology.org/format_3814</uri><term>SDF</term></format><format><uri>http://edamontology.org/format_1476</uri><term>PDB</term></format></input><output><data><uri>http://edamontology.org/data_1566</uri><term>Protein-ligand interaction report</term></data><format><uri>http://edamontology.org/format_3508</uri><term>PDF</term></format><format><uri>http://edamontology.org/format_3604</uri><term>SVG</term></format><format><uri>http://edamontology.org/format_3603</uri><term>PNG</term></format></output><output><data><uri>http://edamontology.org/data_1710</uri><term>Structure image</term></data><format><uri>http://edamontology.org/format_3508</uri><term>PDF</term></format><format><uri>http://edamontology.org/format_3604</uri><term>SVG</term></format><format><uri>http://edamontology.org/format_3603</uri><term>PNG</term></format></output></function><link><url>https://proteins.plus</url><type>Service</type><note>A web service to run PoseView calculations for protein-ligand complexes.</note></link><link><url>https://proteins.plus/help/poseview_rest</url><type>Service</type><note>A web API to run PoseView calculations for protein-ligand complexes.</note></link><documentation><url>https://proteins.plus/help/index</url><type>General</type></documentation><publication><doi>10.1021/ml100164p</doi><pmid>24900245</pmid><pmcid>PMC4007829</pmcid><type>Primary</type></publication><publication><doi>10.1093/bioinformatics/btl150</doi><pmid>16632493</pmid><type>Benchmarking study</type></publication><publication><doi>10.1002/cmdc.200700010</doi><pmid>17436259</pmid><type>Benchmarking study</type></publication><publication><doi>10.1021/ci049958u</doi><pmid>15154775</pmid><type>Method</type></publication><credit><name>ProteinsPlus Support</name><email>proteinsplus.zbh@lists.uni-hamburg.de</email><typeRole>Primary contact</typeRole><note>Primary Contact for Web Service Issues</note></credit><credit><name>University of Hamburg, ZBH - Center for Bioinformatics</name><rorid>00g30e956</rorid><typeRole>Provider</typeRole></credit></tool><tool><name>GRNsight</name><description>Web application and service for visualizing small- to medium-scale models of gene regulatory networks. 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Built in Python, it enables precise quantitative analysis of gliomas in brain MRI scans to support clinical decision-making in both diagnosis and prognosis. 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tool</toolType><topic><uri>http://edamontology.org/topic_3673</uri><term>Whole genome sequencing</term></topic><topic><uri>http://edamontology.org/topic_3673</uri><term>Whole genome sequencing</term></topic><operatingSystem>Mac</operatingSystem><operatingSystem>Linux</operatingSystem><operatingSystem>Windows</operatingSystem><language>Shell</language><language>Python</language><language>R</language><license>Freeware</license><maturity>Emerging</maturity><cost>Free of charge</cost><accessibility>Open access</accessibility><function><operation><uri>http://edamontology.org/operation_3460</uri><term>Taxonomic classification</term></operation><output><data><uri>http://edamontology.org/data_3737</uri><term>Alpha diversity data</term></data></output><output><data><uri>http://edamontology.org/data_3738</uri><term>Beta diversity data</term></data></output><output><data><uri>http://edamontology.org/data_1636</uri><term>Heat 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Ruiz Mota</name><email>fraruimot@alum.us.es</email><url>http://www.bioinfocb.es/</url><typeEntity>Person</typeEntity><typeRole>Developer</typeRole><note>Junior developer</note></credit><credit><name>Gemma Martinez Redondo</name><email>gemma.martinez@ibe.upf-csic.es</email><url>https://www.metazomics.com/</url><typeEntity>Person</typeEntity><typeRole>Contributor</typeRole><typeRole>Developer</typeRole><note>Contributed  as developer of the first version of FANTASIA V1</note></credit><credit><name>Alex Dominguez Rodriguez</name><email>adomrod4@upo.es</email><url>http://www.bioinfocb.es/</url><typeEntity>Person</typeEntity><typeRole>Developer</typeRole><typeRole>Primary contact</typeRole><typeRole>Maintainer</typeRole><typeRole>Documentor</typeRole><note>Implemented the LITE version of FANTASIA</note></credit></tool><tool><name>Poly Pipeline</name><description>A data analysis pipeline for Spatial Transcriptomics data tailored to polyploid organisms.</description><homepage>https://github.com/capuccino26/POLY_PIPELINE</homepage><biotoolsID>poly_pipeline</biotoolsID><biotoolsCURIE>biotools:poly_pipeline</biotoolsCURIE><version>v1.0.0</version><otherID><value>doi:10.5281/zenodo.18655692</value><type>doi</type><version>v1.0.0</version></otherID><toolType>Command-line tool</toolType><toolType>Script</toolType><topic><uri>http://edamontology.org/topic_3170</uri><term>RNA-Seq</term></topic><operatingSystem>Linux</operatingSystem><language>R</language><language>Bash</language><language>Python</language><license>MIT</license><maturity>Mature</maturity><cost>Free of charge</cost><accessibility>Open access</accessibility><elixirPlatform>Tools</elixirPlatform><elixirCommunity>Plant Sciences</elixirCommunity><function><operation><uri>http://edamontology.org/operation_0313</uri><term>Expression profile clustering</term></operation><input><data><uri>http://edamontology.org/data_3917</uri><term>Count matrix</term></data></input><output><data><uri>http://edamontology.org/data_3768</uri><term>Clustered expression profiles</term></data></output><note>Clustering of GEF files.</note><cmd>ANALYSIS=1</cmd></function><function><operation><uri>http://edamontology.org/operation_3925</uri><term>Network visualisation</term></operation><input><data><uri>http://edamontology.org/data_3917</uri><term>Count matrix</term></data></input><output><data><uri>http://edamontology.org/data_2600</uri><term>Pathway or network</term></data></output><note>Generation of Nodes and Edges.</note><cmd>ANALYSIS=3</cmd></function><function><operation><uri>http://edamontology.org/operation_0336</uri><term>Format validation</term></operation><input><data><uri>http://edamontology.org/data_3112</uri><term>Gene expression matrix</term></data></input><output><data><uri>http://edamontology.org/data_3112</uri><term>Gene expression matrix</term></data></output><note>Data converter.</note><cmd>ANALYSIS=0</cmd></function><function><operation><uri>http://edamontology.org/operation_3800</uri><term>RNA-Seq quantification</term></operation><input><data><uri>http://edamontology.org/data_3112</uri><term>Gene expression matrix</term></data></input><output><data><uri>http://edamontology.org/data_3917</uri><term>Count matrix</term></data></output><note>Generation of count matrix.</note><cmd>ANALYSIS=1</cmd></function><function><operation><uri>http://edamontology.org/operation_3695</uri><term>Data filtering</term></operation><input><data><uri>http://edamontology.org/data_3112</uri><term>Gene expression matrix</term></data></input><output><data><uri>http://edamontology.org/data_3112</uri><term>Gene expression matrix</term></data></output><note>Filtering of GEF files.</note><cmd>ANALYSIS=1</cmd></function><link><url>https://github.com/capuccino26/POLY_PIPELINE</url><type>Repository</type><note>Github Repository</note></link><link><url>https://zenodo.org/records/18655692</url><type>Other</type><note>Zenodo Insert</note></link><download><url>https://github.com/capuccino26/POLY_PIPELINE/releases/tag/v1.0.0</url><type>Source code</type><note>Github Release</note><version>v1.0.0</version></download><documentation><url>https://github.com/capuccino26/POLY_PIPELINE#poly_pipeline</url><type>User manual</type><note>Github Documentation</note></documentation><publication><doi>10.5281/zenodo.18655692</doi><type>Other</type><version>v1.0.0</version><note>Zenodo Insertion</note></publication><credit><name>Pedro Cristov&#227;o Carvalho</name><email>pccrvl@gmail.com</email><url>https://cafinvest.com.br/resume.php</url><orcidid>https://orcid.org/0000-0001-9242-6911</orcidid><typeEntity>Person</typeEntity><typeRole>Developer</typeRole><typeRole>Primary contact</typeRole><typeRole>Maintainer</typeRole><typeRole>Provider</typeRole><typeRole>Support</typeRole><note>Main developer of the pipeline</note></credit></tool><tool><name>open-cravat</name><description>OpenCRAVAT is a new open source, scalable decision support system to support variant and gene prioritization. It offers a dynamic GUI, allowing users to easily, download tools from an extensive resource catalog, create customized pipelines, run jobs at speeds that exceed current variant annotation API services, and explore results in a richly detailed viewing environment. OpenCRAVAT is distinguished from similar tools by the amount and diversity of data resources and computational prediction methods available, which span germline, somatic, common, rare, coding and non-coding variants. We have designed the OpenCRAVAT resource catalog to be open and modular to maximize community and developer involvement, and as a result the catalog is being actively developed and growing larger every month.</description><homepage>https://opencravat.org</homepage><biotoolsID>open-cravat</biotoolsID><biotoolsCURIE>biotools:open-cravat</biotoolsCURIE><version>2.16.0</version><version>2.17.0</version><toolType>Web API</toolType><toolType>Web application</toolType><toolType>Command-line tool</toolType><topic><uri>http://edamontology.org/topic_2640</uri><term>Oncology</term></topic><topic><uri>http://edamontology.org/topic_3175</uri><term>Structural variation</term></topic><topic><uri>http://edamontology.org/topic_0769</uri><term>Workflows</term></topic><topic><uri>http://edamontology.org/topic_0622</uri><term>Genomics</term></topic><topic><uri>http://edamontology.org/topic_0625</uri><term>Genotype and phenotype</term></topic><topic><uri>http://edamontology.org/topic_3325</uri><term>Rare diseases</term></topic><topic><uri>http://edamontology.org/topic_0080</uri><term>Sequence analysis</term></topic><topic><uri>http://edamontology.org/topic_0199</uri><term>Genetic variation</term></topic><topic><uri>http://edamontology.org/topic_3673</uri><term>Whole genome sequencing</term></topic><topic><uri>http://edamontology.org/topic_3676</uri><term>Exome sequencing</term></topic><topic><uri>http://edamontology.org/topic_0659</uri><term>Functional, regulatory and non-coding RNA</term></topic><operatingSystem>Mac</operatingSystem><operatingSystem>Linux</operatingSystem><operatingSystem>Windows</operatingSystem><language>Python</language><license>MIT</license><collectionID>Rare Disease</collectionID><collectionID>Rare disease</collectionID><maturity>Mature</maturity><cost>Free of charge</cost><accessibility>Open access</accessibility><function><operation><uri>http://edamontology.org/operation_3227</uri><term>Variant calling</term></operation><operation><uri>http://edamontology.org/operation_3661</uri><term>SNP annotation</term></operation><operation><uri>http://edamontology.org/operation_0331</uri><term>Variant effect prediction</term></operation><operation><uri>http://edamontology.org/operation_3197</uri><term>Genetic variation analysis</term></operation><operation><uri>http://edamontology.org/operation_3672</uri><term>Gene functional annotation</term></operation><operation><uri>http://edamontology.org/operation_3226</uri><term>Variant prioritisation</term></operation><input><data><uri>http://edamontology.org/data_3498</uri><term>Sequence variations</term></data><format><uri>http://edamontology.org/format_3016</uri><term>VCF</term></format></input><output><data><uri>http://edamontology.org/data_3498</uri><term>Sequence variations</term></data><format><uri>http://edamontology.org/format_3016</uri><term>VCF</term></format></output><note>Additional input formats include: list of dbSNP rsIDs, HGVS annotation, and a tab-separated variant annotation format.

Output is also in text, excel, and a SQLite database. The SQLIte database format can be loaded into `oc gui` as an interactive web application</note><cmd>oc run -a ANNOTATOR_LIST input.vcf</cmd></function><link><url>https://run.opencravat.org/</url><type>Service</type><note>Web server for running the current version of OpenCRAVAT without needing a local installation.</note></link><link><url>https://github.com/KarchinLab/open-cravat</url><type>Repository</type></link><link><url>https://run.opencravat.org/submit/nocache/index.html</url><type>Software catalogue</type><note>Catalogue of modules for OpenCRAVAT, including annotators, variant effect predictors, etc.</note></link><download><url>https://github.com/KarchinLab/open-cravat/releases/</url><type>Downloads page</type></download><download><url>https://hub.docker.com/r/karchinlab/opencravat</url><type>Container file</type></download><documentation><url>https://docs.opencravat.org/en/latest/index.html</url><type>General</type><type>API documentation</type><type>Installation instructions</type><type>Quick start guide</type><type>User manual</type></documentation><publication><doi>10.1200/cci.19.00132</doi><pmid>32228266</pmid><pmcid>PMC7113103</pmcid></publication><credit><name>Kymberleigh A Pagel</name></credit><credit><name>Rick Kim</name></credit><credit><name>Kyle Moad</name></credit><credit><name>Rachel Karchin</name></credit></tool></tools>