Pinned Loading

1. molecularvolume molecularvolume Public

   Utilities for molecular volume calculation

   Python 10 3

2. kde kde Public

   Python library for kernel density estimation, including interface for WESTPA data

   Python 8 3

3. proteinAUnfoldWE proteinAUnfoldWE Public

   Example setup for a weighted ensemble simulation using WESTPA, that samples the unfolding of protein A. The progress coordinate is the RMSD of the hydrophobic core relative to the crystal structure.

   Shell

4. misc_simulation_tools misc_simulation_tools Public

   Python 1 1

5. weighted_ensemble_tools weighted_ensemble_tools Public

   Python 1

6. kineticmodels kineticmodels Public

   Python