jwallen/RPMDrate
Compute dynamic properties of chemical systems using ring polymer molecular dynamics simulations
Developer Profile
jwallen
Discovered public repositories for jwallen in the GitHub catalog.
jwallen/PyRate
A Python package for computing chemical reaction rates and other properties needed for detailed kinetics models
jwallen/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
jwallen/RMG-website
A Django-powered website for Reaction Mechanism Generator (RMG)
jwallen/PyDQED
A Python wrapper for the DQED constrained nonlinear optimization code
jwallen/RMG-database-old
The contents of and tools to process the databases for the MIT Reaction Mechanism Generator
jwallen/MEASURE
Master Equation Automatic Solver for Unimolecular REactions
jwallen/ChemPy
A chemistry toolkit for Python
jwallen/PyDAS
A Python wrapper for the DASSL, DASPK, and DASKR differential algebraic system solvers
jwallen/RMG-Java
The Java version of RMG: Reaction Mechanism Generator
jwallen/RMG-Py
Reaction Mechanism Generator - Python version