Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
https://github.com/octavian-ganea/equidock_public
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
deeplearning docking drug-discovery drugdiscovery equivariance equivariant-network equivariant-representations geometry graphneuralnetwork protein-protein-interaction proteins
Last synced: 07 Jun 2024
![](https://github.com/octavian-ganea.png)
https://github.com/Thinklab-SJTU/awesome-molecular-docking
We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
ai-aided-drug-discovery awesome awesome-list binding bioinformatics deep-learning drug-design drug-discovery drug-protein-interactions drugai equivariant-representations generative-model geometric-deep-learning machine-learning molecular-docking molecular-dynamics optimal-transport paper-list protein-ligand-docking protein-protein-interaction
Last synced: 05 May 2024
![](https://github.com/Thinklab-SJTU.png)
https://github.com/torchmd/torchmd-net
Neural network potentials
energy-functions equivariant-representations molecular-dynamics neural-networks transformer
Last synced: 08 Apr 2024
![](https://github.com/torchmd.png)