Popular repositories Loading

1. alchemical-analysis alchemical-analysis Public

   Forked from MobleyLab/alchemical-analysis

   Python 3

2. ParmEd ParmEd Public

   Forked from swails/ParmEd

   Parameter/topology editor and molecular simulator

   Python 1

3. open-forcefield-data open-forcefield-data Public

   Forked from openforcefield/open-forcefield-data

   Datasets for open forcefield parameterization and development

   Jupyter Notebook 1

4. gbff gbff Public

   Forked from choderalab/gbff

   Tools for Bayesian forcefield development

   Python 1

5. mdtraj mdtraj Public

   Forked from mdtraj/mdtraj

   A modern, open library for the analysis of molecular dynamics trajectories

   Python 1

6. benchmarkset benchmarkset Public

   Benchmark sets for alchemical free energy calculations