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Josh Allen's repositories

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

Language:Fortran47 8 9

A chemistry toolkit for Python

Language:PythonMIT23 4 1

A Python wrapper for the DQED constrained nonlinear optimization code

Language:FORTRAN600

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

Language:Python600

The database of chemical parameters used with Reaction Mechanism Generator

Language:Python500

Reaction Mechanism Generator - Python version

Language:PythonMIT400

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

Language:Fortran400

Master Equation Automatic Solver for Unimolecular REactions

Language:PythonMIT300

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

Language:Python300

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

Language:Python100

The Java version of RMG: Reaction Mechanism Generator

Language:JavaMIT100