ChemistryAtlas Code
atomicarchitects/equiformer_v2
Molecular simulation and atomistic MLGitHubsource codeai-for-sciencecatalyst-designcomputational-chemistrycomputational-physicsdeep-learningdrug-discoverye3nnequiformerequivariant-graph-neural-network
[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
Why it is useful: Molecular simulation and atomistic ML repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 343 stars, 47 forks, primary language: Python.
Homepage: https://arxiv.org/abs/2306.12059
Citation: GitHub repository: atomicarchitects/equiformer_v2