Popular repositories Loading

1. openmm_sdm_plugin openmm_sdm_plugin Public

   OpenMM plugin to implement single-decoupling method in alchemical free energy calculations

   C++ 6 3

2. datasharing datasharing Public

   Forked from jtleek/datasharing

   The Leek group guide to data sharing

3. bedam_workflow bedam_workflow Public

   Forked from ComputationalBiophysicsCollaborative/bedam_workflow

   A python workflow to set up BEDAM binding free energy calculations

   Python

4. update_forcefield_param update_forcefield_param Public

   A script to update the force field parameters in Desmond dms molecular structure files

   Python

5. openmm_agbnp_plugin openmm_agbnp_plugin Public

   Forked from Gallicchio-Lab/openmm_agbnp_plugin

   An OpenMM plugin implementing the AGBNP implicit solvent model

   C++

6. test.io test.io Public