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GitHub / HannesStark / EquiBind
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/HannesStark%2FEquiBind
Stars: 463
Forks: 110
Open Issues: 4
License: mit
Language: Python
Repo Size: 29.1 MB
Dependencies:
0
Created: over 2 years ago
Updated: 1 day ago
Last pushed: about 1 year ago
Last synced: about 3 hours ago
Topics: drug-discovery, equivariance, geometry, graph-neural-networks, molecules, protein-structure, proteins