#drug-discovery (11 Repositories)
Ranked open-source repositories tagged with #drug-discovery, scored by pull request acceptance likelihood and maintainer engagement velocity.
23.4%
1.4h
11 repositories tagged #drug-discovery
inoue0426/awesome-computational-biology
Awesome list of computational biology.
RMeli/spyrmsd
📐 Symmetry-corrected RMSD in Python
NVIDIA-BioNeMo/bionemo-recipes
BioNeMo Recipes: For building and adapting AI models in drug discovery at scale
forlilab/Meeko
Interface for AutoDock, molecule parameterization
yorkeccak/bio
The world's most powerful open-source bio AI assistant - Access academic literature, clinical trials, drug labels, and more, all through natural conversation.
mir-group/allegro
Allegro is a code for building highly scalable E(3)-equivariant interatomic potentials
jaechang-hits/SciAgent-Skills
197 bioinformatics & life science skills for Claude Code and AI agents — BixBench 92.0% accuracy. RNA-seq, single-cell, drug discovery, proteomics, and more. Powers OmicsHorizon.
unum-science/USearchMolecules
Large Multi-Modal Chem-Informatics dataset of 7B+ molecules with fingerprints and 3D conformers for drug discovery
mqcomplab/bblean
BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries
deepchem/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
molecularsets/moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models