ReactionMechanismGenerator/RMG-database

The database of chemical parameters used with Reaction Mechanism Generator

Language: Python - Size: 205 MB - Last synced: 1 day ago - Pushed: 2 days ago - Stars: 93 - Forks: 136

ReactionMechanismGenerator/AutoFragmentModeling 📦

An Automatic Fragment-based Modeling Tool for Large Chemical System

Language: Jupyter Notebook - Size: 945 KB - Last synced: 1 day ago - Pushed: 2 days ago - Stars: 3 - Forks: 3

ReactionMechanismGenerator/T3

The Tandem Tool (T3) for automated chemical kinetic model development

Language: Python - Size: 15.1 MB - Last synced: 7 days ago - Pushed: 7 days ago - Stars: 11 - Forks: 4

ReactionMechanismGenerator/molecule

RMG-Py's molecule submodule

Language: Python - Size: 3.09 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 1 - Forks: 0

ReactionMechanismGenerator/ReactionMechanismSimulator.jl

The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms

Language: Jupyter Notebook - Size: 7.44 MB - Last synced: 10 days ago - Pushed: 26 days ago - Stars: 69 - Forks: 33

ReactionMechanismGenerator/ARC

ARC - Automatic Rate Calculator

Language: Python - Size: 49.3 MB - Last synced: 17 days ago - Pushed: 17 days ago - Stars: 42 - Forks: 21

ReactionMechanismGenerator/pyrms

Python wrapper for the ReactionMechanismSimulator

Language: Python - Size: 90.8 KB - Last synced: 6 days ago - Pushed: about 1 year ago - Stars: 3 - Forks: 3

ReactionMechanismGenerator/RMG-Py

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

Language: Python - Size: 167 MB - Last synced: about 2 months ago - Pushed: about 2 months ago - Stars: 367 - Forks: 225

ReactionMechanismGenerator/RMG-website

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

Language: Python - Size: 5.43 MB - Last synced: about 2 months ago - Pushed: about 2 months ago - Stars: 20 - Forks: 29

ReactionMechanismGenerator/AutoTST

AutoTST: A framework to perform automated transition state theory calculations

Language: Python - Size: 11.8 MB - Last synced: about 2 months ago - Pushed: 10 months ago - Stars: 31 - Forks: 16

ReactionMechanismGenerator/PyDAS

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

Language: Fortran - Size: 767 KB - Last synced: about 2 months ago - Pushed: about 1 year ago - Stars: 7 - Forks: 6

ReactionMechanismGenerator/RMG-tests 📦

Continous Integration Testing Platform for RMG-Py

Language: Shell - Size: 5.71 MB - Last synced: about 2 months ago - Pushed: 6 months ago - Stars: 3 - Forks: 14

ReactionMechanismGenerator/Work-In-Progress_scripts

Collection of assorted scripts for common operations related to RMG, chemkin, cantera, cantherm etc

Language: Python - Size: 652 KB - Last synced: about 2 months ago - Pushed: over 2 years ago - Stars: 2 - Forks: 9

ReactionMechanismGenerator/RMGWorkshop2023

RMG Workshop Questions

Size: 0 Bytes - Last synced: about 2 months ago - Pushed: about 1 year ago - Stars: 0 - Forks: 0

ReactionMechanismGenerator/PyDQED

A Python wrapper for the DQED constrained nonlinear optimization code

Language: Fortran - Size: 245 KB - Last synced: about 2 months ago - Pushed: about 1 year ago - Stars: 1 - Forks: 4

ReactionMechanismGenerator/TS-GCN

Language: Jupyter Notebook - Size: 15 MB - Last synced: about 2 months ago - Pushed: over 1 year ago - Stars: 5 - Forks: 1

ReactionMechanismGenerator/conda-recipes

Anaconda conda build recipes for RMG dependencies

Language: Shell - Size: 386 KB - Last synced: about 2 months ago - Pushed: about 1 year ago - Stars: 0 - Forks: 4

ReactionMechanismGenerator/pysolvation

Language: Python - Size: 27.3 KB - Last synced: about 2 months ago - Pushed: about 2 years ago - Stars: 4 - Forks: 0

ReactionMechanismGenerator/RMG-Java

The Java version of RMG: Reaction Mechanism Generator

Language: Java - Size: 23.2 MB - Last synced: about 2 months ago - Pushed: over 8 years ago - Stars: 29 - Forks: 36

ReactionMechanismGenerator/SoftwareCoordination

A repo for coordinating cross-group software development efforts

Size: 1.95 KB - Last synced: about 2 months ago - Pushed: about 2 years ago - Stars: 3 - Forks: 0

ReactionMechanismGenerator/RMG-logos

Logos for the awesome Reaction Mechanism Generator

Language: TeX - Size: 379 KB - Last synced: about 2 months ago - Pushed: about 3 years ago - Stars: 0 - Forks: 0

ReactionMechanismGenerator/RMGWorkshop2021

RMG Workshop Questions

Size: 0 Bytes - Last synced: about 2 months ago - Pushed: over 3 years ago - Stars: 0 - Forks: 0

ReactionMechanismGenerator/DataDrivenEstimator

A package of data driven estimators for thermochemistry and kinetics

Language: Python - Size: 2.13 MB - Last synced: about 2 months ago - Pushed: over 2 years ago - Stars: 2 - Forks: 10

ReactionMechanismGenerator/zmats

A Z-matrix module written in Python

Language: Python - Size: 197 KB - Last synced: about 2 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0

ReactionMechanismGenerator/ReactionMechanismGenerator.github.io

RMG website at http://reactionmechanismgenerator.github.io

Language: CSS - Size: 28.3 KB - Last synced: about 2 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0

ReactionMechanismGenerator/autoQM

A Software for Large Scale Quantum Mechanic Calculations

Language: Python - Size: 324 KB - Last synced: about 2 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 4