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Topics: rdkit

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3 repositories by Attention Score · Aug 5, 2026 – Nov 2, 2026 (UTC)

Language: Python
Topic: rdkit
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1.datamol-io / datamol

Molecular Processing Made Easy.

python
molecule
rdkit
drug-discovery
drug-design
molecules
+2 more

Python APACHE-2.0557 total66 forks

+18 stars

from 539 · score 2.94

2.LigandPro / Matcha

Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.

alphafold3
docking
drug-design
drug-discovery
flowmatching
gnina
+8 more

Python Other license37 total4 forks

+5 stars

from 32 · score 1.79

3.mcs07 / MolVS

Molecule Validation and Standardization

rdkit
python
chemistry
cheminformatics
standardization
validation

Python MIT189 total59 forks

+4 stars

from 185 · score 1.61

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