jwallen Goto Github PK
Name: Josh Allen
Type: User
Josh Allen's Projects
chempy
A chemistry toolkit for Python
measure
Master Equation Automatic Solver for Unimolecular REactions
pydas
A Python wrapper for the DASSL, DASPK, and DASKR differential algebraic system solvers
pydqed
A Python wrapper for the DQED constrained nonlinear optimization code
pyrate
A Python package for computing chemical reaction rates and other properties needed for detailed kinetics models
rmg-database
The database of chemical parameters used with Reaction Mechanism Generator
rmg-database-old
The contents of and tools to process the databases for the MIT Reaction Mechanism Generator
rmg-java
The Java version of RMG: Reaction Mechanism Generator
rmg-py
Reaction Mechanism Generator - Python version
rmg-website
A Django-powered website for Reaction Mechanism Generator (RMG)
rpmdrate
Compute dynamic properties of chemical systems using ring polymer molecular dynamics simulations
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