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pharmacoinformatics

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gmum / mldd23

The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2023. The page is hosted by the machine learning research group GMUM.

machine-learning deep-learning cheminformatics drug-discovery drug-design computer-aided-drug-design pharmacoinformatics

Updated May 26, 2023
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francescopatane96 / Computer_aided_drug_discovery_kit

This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and structure-based techniques. The pipeline contains a collections of modules to perform a variety of analysis.

machine-learning fingerprints drug-discovery drug-repurposing chemoinformatics padel descriptors cancer-research biotechnology chemical-descriptors randomforestclassifier computational-drug-discovery pharmacoinformatics padel-descriptors

Updated Aug 14, 2023
Jupyter Notebook

GangulyHub / compute-kit

Enhance your heavy computations effortlessly with ComputeKit, a lightweight toolkit that integrates Web Workers, React hooks, and WASM.

javascript arm typescript frontend data-visualization quantum-computing drug-repurposing padel assemblyscript web-workers computer-architectures randomforestclassifier pharmacoinformatics compute-starter fastly-oss-tier1 optimizely-library usecompute

Updated Mar 3, 2026
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