2 results found Sort:

choderalab
pymbar choderalab
92
237
mit
26
Python implementation of the multistate Bennett acceptance ratio (MBAR)
mbar pymbar python research equilibrium free-energies thermodynamic-states single-molecule-pulling bennett-acceptance-ratio extended-bridge-sampling molecular-dynamics-simulations multistate-bennett-acceptance-ratio
Created 2013-05-10
1,044 commits to master branch, last one about a month ago
MobleyLab
FreeSolv MobleyLab
53
100
unknown
25
Experimental and calculated small molecule hydration free energies
python database hydration solvation free-energies calculated-values experimental-data experimental-values
Created 2014-09-26
77 commits to master branch, last one 6 years ago