alchemistry.org

Popular repositories Loading

1. alchemlyb alchemlybPublic

   the simple alchemistry library

   Python 244 59

2. alchemical-best-practices alchemical-best-practicesPublic

   Best practice document for alchemical free energy calculations going to livecoms journal

   Jupyter Notebook 90 29

3. soft-benchmarks soft-benchmarksPublic

   Soft benchmark sets for alchemical free energy calculations, for assessing their accuracy on biomolecular systems

   18 3

4. flamel flamelPublic

   A free energy command line tool using alchemlyb

   Python 17 3

5. alchemtest alchemtestPublic

   the simple alchemistry test set

   Python 10 13

6. largescale-alchemy-best-practices largescale-alchemy-best-practicesPublic

   TeX 9 5