ChemistryAtlas Code
Acellera/htmd
Molecular simulation and atomistic MLGitHubsource codeautomatedrug-discoveryhtmdmolecular-simulations
HTMD: Programming Environment for Molecular Discovery
Why it is useful: Molecular simulation and atomistic ML repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 274 stars, 59 forks, primary language: Rich Text Format.
Homepage: https://software.acellera.com/docs/latest/htmd/index.html
Citation: GitHub repository: Acellera/htmd