Reaction Mechanism Generator (@ReactionMechanismGenerator)
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ReactionMechanismGenerator

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Top repositories

1

RMG-Py

Python version of the amazing Reaction Mechanism Generator (RMG).
Python
380
star
2

RMG-database

The database of chemical parameters used with Reaction Mechanism Generator
Python
95
star
3

ReactionMechanismSimulator.jl

The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
Jupyter Notebook
71
star
4

ARC

ARC - Automatic Rate Calculator
Python
43
star
5

AutoTST

AutoTST: A framework to perform automated transition state theory calculations
Python
32
star
6

RMG-Java

The Java version of RMG: Reaction Mechanism Generator
Java
29
star
7

RMG-website

A Django-powered website for Reaction Mechanism Generator (RMG)
Python
20
star
8

T3

The Tandem Tool (T3) for automated chemical kinetic model development
Python
11
star
9

PyDAS

A Python wrapper for the DASSL, DASPK, and DASKR differential algebraic system solvers
Fortran
7
star
10

TS-GCN

Jupyter Notebook
5
star
11

pysolvation

Python
4
star
12

DataDrivenEstimator

A package of data driven estimators for thermochemistry and kinetics
Python
3
star
13

AutoFragmentModeling

An Automatic Fragment-based Modeling Tool for Large Chemical System
Jupyter Notebook
3
star
14

SoftwareCoordination

A repo for coordinating cross-group software development efforts
3
star
15

pyrms

Python wrapper for the ReactionMechanismSimulator
Python
3
star
16

RMG-tests

Continous Integration Testing Platform for RMG-Py
Shell
3
star
17

Work-In-Progress_scripts

Collection of assorted scripts for common operations related to RMG, chemkin, cantera, cantherm etc
Python
2
star
18

PyDQED

A Python wrapper for the DQED constrained nonlinear optimization code
Fortran
2
star
19

molecule

RMG-Py's molecule submodule
Python
1
star