mjohnson541 Goto Github PK
Name: Matt Johnson
Type: User
Company: MIT
Matt Johnson's Projects
hrrr
julia-feedstock
A conda-smithy repository for julia.
mjohnson541.github.io
project-website
a template for research group sites
q2dtor
Q2DTor is a program designed to calculate partition functions and thermodynamic properties of molecular systems with two or more torsional modes. It allows one to calculate rotational-vibrational (or rovibrational) partition functions and thermodynamic functions by the multistructural harmonic oscillator (MS-HO) and the Extended Two-Dimensional Torsion (E2DT) methods.
reactionmechanismsimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
ringdecomposerlib
Open Source Implementation of the Unique Ring Families Algorithm (Cheminformatics)
rmg-database
The database of chemical parameters used with Reaction Mechanism Generator
rmg-py
Python version of the amazing Reaction Mechanism Generator (RMG).
rmg-tests
Continous Integration Testing Platform for RMG-Py
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
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