ajalan

ajalan's Stars

• ajalan/MoleCoor

  A tool for checking molecular conformational equivalence within a user-specified tolerance

  Language:Python1

• ajalan/RMG-database

  The database of chemical parameters used with Reaction Mechanism Generator

  Language:Python1

• ajalan/PyDQED

  A Python wrapper for the DQED constrained nonlinear optimization code

  Language:FORTRAN1

• ajalan/RMG-website

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

  Language:Python1

• ajalan/RMG-Py

  Reaction Mechanism Generator - Python version

  Language:Python1

• ajalan/Butane-Oxidation

  Development of butane oxidation models using RMG

  1

• ajalan/nDBsecox

  Kinetic modeling of secondary oxidation of n-decyl benzene

  Language:Shell2

• jwallen/RMG-database

  The database of chemical parameters used with Reaction Mechanism Generator

  Language:Python54

• jwallen/RMG-website

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

  Language:Python47

• jwallen/PyDQED

  A Python wrapper for the DQED constrained nonlinear optimization code

  Language:FORTRAN62

• ajalan/RMG-Java

  The Java version of RMG: Reaction Mechanism Generator

  Language:Java21

• ReactionMechanismGenerator/RMG-Java

  The Java version of RMG: Reaction Mechanism Generator

  Language:Java3036

• gmagoon/MoleCoor

  A tool for checking molecular conformational equivalence within a user-specified tolerance

  Language:Python31

• jwallen/RMG-Py

  Reaction Mechanism Generator - Python version

  Language:Python43

• ajalan/SolvationPredictor

  Automate the running of RMG's Abraham.class to estimate partition coefficient of many solvent/solute pairs at once

  Language:Python11

• rwest/SolvationPredictor

  Automate the running of RMG's Abraham.class to estimate partition coefficient of many solvent/solute pairs at once

  Language:Python21

• ajalan/RMG-Visualizer

  Visualisation tools for RMG to show reaction flux diagrams and reaction lists etc.

  Language:Python11

• rwest/RMG-Visualizer

  Visualisation tools for RMG to show reaction flux diagrams and reaction lists etc.

  Language:Python65

• ajalan/Burcat-PrIMe

  compare Burcat's thermochemistry with PrIMe

  Language:Python21

• rwest/Burcat-PrIMe

  compare Burcat's thermochemistry with PrIMe

  Language:Python32