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Popular repositories Loading

  1. np-toolkit np-toolkit Public

    Forked from takenbymood/np-toolkit

    C++

  2. workshop workshop Public

    Forked from shozebhaider/workshop

    This provides an overview/landing page for a CCPBioSim workshop event. Feel free to update this as you run new events.

  3. martinize.py martinize.py Public

    Forked from cgmartini/martinize.py

    Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.

    Python

  4. enlighten2-pymol enlighten2-pymol Public

    Forked from vanderkamp/enlighten2-pymol

    PyMOL plugin for enlighten2

    Python

  5. chemsh-wrapper4enlighten-plugin chemsh-wrapper4enlighten-plugin Public

    Forked from CCPBioSim/chemsh-wrapper4enlighten-plugin

    Python

  6. CodeEntropy CodeEntropy Public

    Forked from DonaldChung-HK/CodeEntropy

    CodeEntropy tool with POSEIDON code integrated to form a complete and generally applicable set of tools for computing entropy of macromolecular systems from the forces sampled in a MD simulation.

    Python

27 contributions in the last year

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Contribution activity

April 2025

Opened 1 pull request in 1 repository
CCPBioSim/CodeEntropy 1 merged
Reviewed 1 pull request in 1 repository
CCPBioSim/CodeEntropy 1 pull request

Created an issue in CCPBioSim/CodeEntropy that received 1 comment

Sanity checks for input parameters

Currently the code checks the type for inputs but not whether the values make sense. For example, there is a end parameter for selecting the last f…

1 comment
Opened 1 other issue in 1 repository
CCPBioSim/CodeEntropy 1 closed
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