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@chonglab-pitt

Chong Lab

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  1. LPATH LPATH Public

    Forked from jeremyleung521/LPATH

    A user-friendly, Python tool for clustering pathways from molecular dynamics simulations.

    Python 8

  2. wedap wedap Public

    Forked from darianyang/wedap

    Weighted Ensemble Data Analysis and Plotting

    Python 19 2

  3. force-fields force-fields Public

    A repository containing all force fields developed by the Chong Lab

  4. ff15ipq-lig ff15ipq-lig Public

    Forked from darianyang/ff15ipq-lig

    Scripts for ff15ipq ligand parameter derivation

    Shell

  5. fluorelax fluorelax Public

    Forked from darianyang/fluorelax

    Calculate relaxation rates of fluorinated biomolecules

    Python

  6. misc_simulation_tools misc_simulation_tools Public

    Forked from ajd98/misc_simulation_tools

    Python 1

Repositories

Showing 10 of 12 repositories
  • chonglab-pitt.github.io Public

    The Chong Lab Website

    chonglab-pitt/chonglab-pitt.github.io’s past year of commit activity
    JavaScript 0 0 0 0 Updated Nov 3, 2024
  • LPATH Public Forked from jeremyleung521/LPATH

    A user-friendly, Python tool for clustering pathways from molecular dynamics simulations.

    chonglab-pitt/LPATH’s past year of commit activity
    Python 8 MIT 2 0 0 Updated Oct 24, 2024
  • wedap Public Forked from darianyang/wedap

    Weighted Ensemble Data Analysis and Plotting

    chonglab-pitt/wedap’s past year of commit activity
    Python 19 BSD-3-Clause 6 0 0 Updated Sep 12, 2024
  • ff15ipq-19F Public Forked from darianyang/ff15ipq-19F

    Scripts and files associated with 19F ff15ipq parameter derivation and validation.

    chonglab-pitt/ff15ipq-19F’s past year of commit activity
    MATLAB 0 BSD-3-Clause 1 0 0 Updated Sep 22, 2022
  • force-fields Public

    A repository containing all force fields developed by the Chong Lab

    chonglab-pitt/force-fields’s past year of commit activity
    0 0 0 0 Updated Sep 21, 2022
  • bdpa_scripts Public Forked from jeremyleung521/bdpa_scripts

    A repository with relevant scripts for the BdpA paper.

    chonglab-pitt/bdpa_scripts’s past year of commit activity
    Python 0 1 0 0 Updated Jun 8, 2022
  • ff15ipq-lig Public Forked from darianyang/ff15ipq-lig

    Scripts for ff15ipq ligand parameter derivation

    chonglab-pitt/ff15ipq-lig’s past year of commit activity
    Shell 0 BSD-3-Clause 1 0 0 Updated Apr 22, 2022
  • fluorelax Public Forked from darianyang/fluorelax

    Calculate relaxation rates of fluorinated biomolecules

    chonglab-pitt/fluorelax’s past year of commit activity
    Python 0 BSD-3-Clause 1 0 0 Updated Apr 1, 2022
  • kde Public Forked from ajd98/kde

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

    chonglab-pitt/kde’s past year of commit activity
    Python 0 3 0 0 Updated May 1, 2018
  • MolDynPlot Public Forked from KarlTDebiec/MolDynPlot

    Molecular dynamics simulation plots powered by matplotlib and yaml

    chonglab-pitt/MolDynPlot’s past year of commit activity
    Python 0 2 0 0 Updated Dec 18, 2017
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