Pinned Repositories
Burcat-PrIMe
compare Burcat's thermochemistry with PrIMe
Butane-Oxidation
Development of butane oxidation models using RMG
MoleCoor
A tool for checking molecular conformational equivalence within a user-specified tolerance
nDBsecox
Kinetic modeling of secondary oxidation of n-decyl benzene
PyDQED
A Python wrapper for the DQED constrained nonlinear optimization code
RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
RMG-Java
The Java version of RMG: Reaction Mechanism Generator
RMG-Py
Reaction Mechanism Generator - Python version
RMG-Visualizer
Visualisation tools for RMG to show reaction flux diagrams and reaction lists etc.
RMG-website
A Django-powered website for Reaction Mechanism Generator (RMG)
ajalan's Repositories
ajalan/Burcat-PrIMe
compare Burcat's thermochemistry with PrIMe
ajalan/nDBsecox
Kinetic modeling of secondary oxidation of n-decyl benzene
ajalan/RMG-Java
The Java version of RMG: Reaction Mechanism Generator
ajalan/Butane-Oxidation
Development of butane oxidation models using RMG
ajalan/MoleCoor
A tool for checking molecular conformational equivalence within a user-specified tolerance
ajalan/PyDQED
A Python wrapper for the DQED constrained nonlinear optimization code
ajalan/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
ajalan/RMG-Py
Reaction Mechanism Generator - Python version
ajalan/RMG-Visualizer
Visualisation tools for RMG to show reaction flux diagrams and reaction lists etc.
ajalan/RMG-website
A Django-powered website for Reaction Mechanism Generator (RMG)
ajalan/SolvationPredictor
Automate the running of RMG's Abraham.class to estimate partition coefficient of many solvent/solute pairs at once