Snurr Research Group

Popular repositories Loading

1. gRASPA gRASPA Public

   GPU Monte Carlo Simulation Code with a taste of RASPA

   C++ 101 31

2. mofid mofid Public

   A system for rapid identification and analysis of metal-organic frameworks

   C++ 70 28

3. pacmof pacmof Public

   Forked from arung-northwestern/pacmof

   PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic frameworks.

   Python 18 3

4. 2D-energy-histogram 2D-energy-histogram Public

   R implementation of machine learning using 2D energy histogram features for prediction of adsorption capacity

   C++ 10 1

5. pacmof2 pacmof2 Public

   Python 9 1

6. mofdb mofdb Public

   Chemoinformatics database for Metal Oraganic Frameworks ~5Millions rows. Comprehensive API and database format.

   Ruby 8 2