rwest

Burcat-PrIMe

compare Burcat's thermochemistry with PrIMe

Cantera-to-PrIMe

Converts a Cantera chem.cti file into a bunch of PrIMe thermo polynomial files (one per species)

Evaporation

Model evaporation of aerosols for a mass spec

gasLiquidSolver

gas transport plus liquid evaporator

GossipingDons

Each of n elderly dons knows a piece of gossip not known to any of the others....

SolvationPredictor

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

Cantera-Solution

Redirect to what this project became

CanTherm

Calculate thermochemical and kinetic quantities (e.g. enthalpy, entropy, heat capacity and transition state theory rate constants) from spectroscopic/quantum data.

django-jinja

EmoMusContinuous

analyze joystick data for response to music

MEASURE

Pressure dependent kinetics estimation

oasa

OASA is a python library for manipulation of chemical formats that forms the base of BKChem.

openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

prowlpy

Python module for Prowl iPhone notification service

rest-ws

REST Web Services

RMG-database-old

The contents of and tools to process the databases for the MIT Reaction Mechanism Generator

RMG-kinetics-site

A django site for displaying the RMG kinetics database

twirlymol

A minimal molecular viewer written in Javascript

Variflex-Reader

Python script that reads in the results of a Variflex calculation (and should eventually do something to them)