mbprend

Massachusetts Institute of Technology

Pinned Repositories

ARC
ARC - Automatic Rate Calculator
Language:Python00
AutoFragmentModeling
An Automatic Fragment-based Modeling Tool for Large Chemical System
Language:Jupyter Notebook00
cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
Language:Python00
KinBot
Automated reaction pathway search for gas-phase molecules with C, H, O, N, and S atoms
Language:Python00
MimiDICE2016.jl
Language:Julia00
molssi_best_practices
Molssi Best Practices Workshop
Language:Python00
RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
Language:Python00
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python00
TCKDB
Theoretical Chemical Kinetics Database
00
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python389 49 1.2k227

mbprend's Repositories

mbprend/ARC
ARC - Automatic Rate Calculator
Language:Python00
mbprend/AutoFragmentModeling
An Automatic Fragment-based Modeling Tool for Large Chemical System
Language:Jupyter Notebook00
mbprend/cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
Language:Python00
mbprend/KinBot
Automated reaction pathway search for gas-phase molecules with C, H, O, N, and S atoms
Language:Python00
mbprend/MimiDICE2016.jl
Language:Julia00
mbprend/molssi_best_practices
Molssi Best Practices Workshop
Language:Python00
mbprend/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
Language:Python00
mbprend/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python00
mbprend/TCKDB
Theoretical Chemical Kinetics Database
00