ChemistryAtlas Code
ACEsuit/mace-foundations
Molecular simulation and atomistic MLGitHubsource codechemistryforce-fieldsfoundation-modelsmachine-learningmaterials-informaticsmaterials-sciencemolecular-dynamics
MACE foundation models (MP, OMAT, mh-1)
Why it is useful: Molecular simulation and atomistic ML repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 266 stars, 25 forks, primary language: Shell.
Homepage: https://mace-docs.readthedocs.io/en/latest/guide/foundation_models.html
Citation: GitHub repository: ACEsuit/mace-foundations