deepchem /DeepChem
Deep learning for drug discovery
Small molecules · Representation learning
★ 7.0k · Updated 2mo ago · MIT
Molecular representation model pretraining
The paper or list names a code repository. The repository itself was not opened.
Last commit 2026-09-10
No publication date was found.
deepchem /DeepChem
Deep learning for drug discovery
★ 7.0k · Updated 2mo ago · MIT
awslabs /DGL-LifeSci
Graph neural networks for chemistry, biology
★ 810 · Updated 2y ago · Apache
Fragment-Level Graph Encoding for Interpretable Molecular Property Prediction
★ — · Updated unknown · Licence unknown
mdtraj /MDTraj
Molecular dynamics trajectory analysis
★ 743 · Updated 3d ago · LGPL-2
aligfellow /xyzrender
Molecular graphics rendering
★ 609 · Updated 2mo ago · MIT
mordred-descriptor /Mordred
Molecular descriptor calculation
★ 481 · Updated 2y ago · BSD-3