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chembl_webresource_client
Official Python client for accessing ChEMBL API
Language:Python382 32 11393
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Language:Python5.6k 144 1.7k1.7k
Uni-Mol
Official Repository for the Uni-Mol Series Methods
Language:Python602 15 143109
hydra
Hydra is a framework for elegantly configuring complex applications
Language:Python8.9k 130 1.4k644
PyBioMed
machine learning, molecular descriptor
Language:Python110 5 1362
CompTox_DILI_Screening_Manuscript
Language:R01
PubChemPy
Python wrapper for the PubChem PUG REST API.
Language:Python404 19 66109
CompTox_DILI_Screening_Manuscript
Language:R00
rdkit
The official sources for the RDKit library
Language:HTML2.7k 78 3.3k887