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