ChemistryAtlas Code
ReactionMechanismGenerator/RMG-Py
Reaction informatics and synthesisGitHubsource codechemistrychemistry-discoverykineticspythonreactionsthermodynamics
Python version of the amazing Reaction Mechanism Generator (RMG).
Why it is useful: Reaction informatics and synthesis repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 523 stars, 256 forks, primary language: Python.
Homepage: http://reactionmechanismgenerator.github.io/RMG-Py/
Citation: GitHub repository: ReactionMechanismGenerator/RMG-Py