gmagoon/CanTherm
Calculate thermochemical and kinetic quantities from spectroscopic/quantum data.
The Java version of RMG: Reaction Mechanism Generator
This repository is cataloged as part of our automated global GitHub synchronization. Full telemetry, velocity snapshots, and code summaries are scheduled for continuous enrichment.
Calculate thermochemical and kinetic quantities from spectroscopic/quantum data.
A tool for checking molecular conformational equivalence within a user-specified tolerance
Visualisation tools for RMG to show reaction flux diagrams and reaction lists etc.
Python version of the amazing Reaction Mechanism Generator. A GIT fork of sourceforge's SVN repository