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Topics: docking

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2 repositories by Attention Score · May 7, 2026 – Nov 2, 2026 (UTC)

Language: Python
Topic: docking
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1.gcorso / DiffDock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

diffusion-models
docking
binding
computational-biology
equivariance
machine-learning
+2 more

Python MIT1.6K total366 forks

+99 stars

from 1,495 · score 4.61

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

+14 stars

from 23 · score 2.71

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