https://github.com/octavian-ganea/equidock_public

EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
https://github.com/octavian-ganea/equidock_public

deeplearning docking drug-discovery drugdiscovery equivariance equivariant-network equivariant-representations geometry graphneuralnetwork protein-protein-interaction proteins

Last synced: about 1 month ago
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EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

• Host: GitHub
• URL: https://github.com/octavian-ganea/equidock_public
• Owner: octavian-ganea
• License: mit
• Created: 2022-02-04T22:26:48.000Z (almost 3 years ago)
• Default Branch: main
• Last Pushed: 2023-09-22T10:50:43.000Z (about 1 year ago)
• Last Synced: 2024-08-01T13:20:40.964Z (4 months ago)
• Topics: deeplearning, docking, drug-discovery, drugdiscovery, equivariance, equivariant-network, equivariant-representations, geometry, graphneuralnetwork, protein-protein-interaction, proteins
• Language: Roff
• Homepage:
• Size: 112 MB
• Stars: 229
• Watchers: 8
• Forks: 57
• Open Issues: 14
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

Awesome Lists containing this project

• awesome-biochem-ai - EquiDock (ICLR 2022)