1.deepchem / deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
- drug-discovery
- quantum-chemistry
- deep-learning
- biology
- materials-science
- hacktoberfest
+450 stars
from 6,673 · score 6.11
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6 repositories by Attention Score · May 8, 2026 – Nov 3, 2026 (UTC)
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Official repository for the Boltz biomolecular interaction models
Public development project of the LAMMPS MD software package
Message Passing Neural Networks for Molecule Property Prediction
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking