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HannesStark/EquiBind

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

Owner
HannesStark (personal account)
Stars
Stars: 553
Forks
Forks: 117
Language
Python
License
MIT
Created
2021
Topics
geometrygraph-neural-networksproteinsprotein-structuredrug-discoverymoleculesequivariance
Tier
Alpha (250 to 699 ★) What this tier means
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