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jwallen Follow

Overview Repositories 11 Projects 0 Packages 0 Stars 5

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Josh Allen jwallen

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Overview Repositories 11 Projects 0 Packages 0 Stars 5

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RPMDrate Public

Compute dynamic properties of chemical systems using ring polymer molecular dynamics simulations

Fortran 4 4 Updated Apr 18, 2024
RMG-database Public

The database of chemical parameters used with Reaction Mechanism Generator

Python 5 4 Updated Oct 1, 2020
PyDAS Public

A Python wrapper for the DASSL, DASPK, and DASKR differential algebraic system solvers

Fortran 51 9 Updated Feb 19, 2015
PyDQED Public

A Python wrapper for the DQED constrained nonlinear optimization code

Fortran 6 2 Updated Jun 11, 2014
RMG-Py Public
Forked from ReactionMechanismGenerator/RMG-Py

Reaction Mechanism Generator - Python version

Python 4 3 MIT License Updated May 14, 2013
RMG-website Public

A Django-powered website for Reaction Mechanism Generator (RMG)

Python 4 7 Updated Apr 25, 2013
RMG-Java Public
Forked from ReactionMechanismGenerator/RMG-Java

The Java version of RMG: Reaction Mechanism Generator

Java 1 1 MIT License Updated Apr 18, 2013
PyRate Public

A Python package for computing chemical reaction rates and other properties needed for detailed kinetics models

Python 7 2 Updated Feb 21, 2012
RMG-database-old Public

The contents of and tools to process the databases for the MIT Reaction Mechanism Generator

Python 1 1 Updated Oct 22, 2010
MEASURE Public

Master Equation Automatic Solver for Unimolecular REactions

Python 3 1 MIT License Updated Oct 22, 2010
ChemPy Public

A chemistry toolkit for Python

Python 25 2 MIT License Updated Oct 22, 2010

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