ChemistryAtlas Code
atomicarchitects/equiformer
Molecular simulation and atomistic MLGitHubsource codeai-for-sciencecatalyst-designcomputational-chemistrydeep-learningdrug-discoverye3nnequiformerequivariant-graph-neural-networkequivariant-neural-networks
[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
Why it is useful: Molecular simulation and atomistic ML repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 282 stars, 55 forks, primary language: Python.
Homepage: https://arxiv.org/abs/2206.11990
Citation: GitHub repository: atomicarchitects/equiformer