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1. openmm-ml openmm-ml Public

   Forked from openmm/openmm-ml

   High level API for using machine learning models in OpenMM simulations

   Python 1

2. MBC_MSM MBC_MSM Public

   Building merging bias corrected Markov state models (MBC-MSMs) with weighted ensemble (WE) simulation data

   Python 2 1

3. wepy_dev wepy_dev Public

   Forked from ADicksonLab/wepy

   Weighted Ensemble simulation framework in Python

   Python 1

4. MD_Interpret MD_Interpret Public

   A repository of python scripts to explore, analyze, visualize and interpret data from molecular dynamics trajectories.

   Python 1

5. openmm-cph-dev openmm-cph-dev Public

   Forked from openmm/openmm-cph

   Constant pH simulation with OpenMM forked on 06/25/2026. Target: Run conventional cph-MD and subsequently integrate cph with wepy to run enhanced sampling WE-cph-MD

   Python 1

6. pyscf_dev pyscf_dev Public

   Forked from pyscf/pyscf

   Python module for quantum chemistry: Forked on 03/09/2026

   Python 1