Repositories tagged with "chemistry-discovery"
RMG-Py
ReactionMechanismGenerator
โPython version of the amazing Reaction Mechanism Generator (RMG).โ
AMPL
ATOMScience-org
โThe ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.โ
