Skip to content
@RowleyGroup

Rowley Group

Rowley Computational Chemistry Group

Popular repositories Loading

  1. NNP-MM NNP-MM Public

    Scripts to interface TorchANI NNP with NAMD

    Python 30 6

  2. charmm-turbomole-examples charmm-turbomole-examples Public

    Example input files for CHARMM-TURBOMOLE QM/MM MD simulations.

    Python 6 3

  3. ACFCalculator ACFCalculator Public

    This code is used to calculate autocorrelations functions of time series calculated using molecular simulation codes like NAMD.

    C++ 6 2

  4. MLXDM MLXDM Public

    Python 6 2

  5. charmm-conformation charmm-conformation Public

    A set of scripts to perform a conformation search using replica-exchange MD features of the CHARMM molecular modeling code.

    Shell 5 2

  6. pyqueue pyqueue Public

    A python library for generating PBS scripts and submitting them to queue

    Python 4 1

Repositories

Showing 10 of 15 repositories
  • MLXDM Public
    RowleyGroup/MLXDM’s past year of commit activity
    Python 6 MIT 2 0 0 Updated Aug 15, 2024
  • covalent-classifier Public
    RowleyGroup/covalent-classifier’s past year of commit activity
    C++ 3 MIT 0 0 0 Updated Aug 6, 2024
  • NNP-MM Public

    Scripts to interface TorchANI NNP with NAMD

    RowleyGroup/NNP-MM’s past year of commit activity
    Python 30 6 1 0 Updated Aug 1, 2023
  • torsionbenchmark Public

    Structures, parameters, and topology files for benchmarking force fields for torsional barriers

    RowleyGroup/torsionbenchmark’s past year of commit activity
    Rich Text Format 2 0 2 0 Updated Sep 9, 2022
  • pyqueue Public

    A python library for generating PBS scripts and submitting them to queue

    RowleyGroup/pyqueue’s past year of commit activity
    Python 4 GPL-3.0 1 0 5 Updated Jul 15, 2022
  • ACFCalculator Public

    This code is used to calculate autocorrelations functions of time series calculated using molecular simulation codes like NAMD.

    RowleyGroup/ACFCalculator’s past year of commit activity
    C++ 6 2 1 0 Updated Oct 2, 2017
  • Liquefy Public

    A VMD plugin to build molecular liquids

    RowleyGroup/Liquefy’s past year of commit activity
    Tcl 2 GPL-2.0 2 0 0 Updated Jul 19, 2017
  • postg-parser Public

    A python parser for the XDM calculation code, postg

    RowleyGroup/postg-parser’s past year of commit activity
    Python 0 GPL-3.0 0 0 0 Updated Jun 19, 2017
  • lj-parspace Public

    Lennard-Jones parameters space

    RowleyGroup/lj-parspace’s past year of commit activity
    Python 0 0 0 0 Updated Mar 1, 2017
  • charmm-turbomole-examples Public

    Example input files for CHARMM-TURBOMOLE QM/MM MD simulations.

    RowleyGroup/charmm-turbomole-examples’s past year of commit activity
    Python 6 3 0 0 Updated Feb 24, 2017
View all repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…