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    • MLXDM

      Public
      Python
      MIT License
      2900Updated Mar 12, 2025Mar 12, 2025
    • C++
      MIT License
      0300Updated Aug 6, 2024Aug 6, 2024
    • NNP-MM

      Public
      Scripts to interface TorchANI NNP with NAMD
      Python
      63210Updated Aug 1, 2023Aug 1, 2023
    • Structures, parameters, and topology files for benchmarking force fields for torsional barriers
      Rich Text Format
      0220Updated Sep 9, 2022Sep 9, 2022
    • pyqueue

      Public
      A python library for generating PBS scripts and submitting them to queue
      Python
      GNU General Public License v3.0
      1405Updated Jul 15, 2022Jul 15, 2022
    • This code is used to calculate autocorrelations functions of time series calculated using molecular simulation codes like NAMD.
      C++
      2910Updated Oct 2, 2017Oct 2, 2017
    • Liquefy

      Public
      A VMD plugin to build molecular liquids
      Tcl
      GNU General Public License v2.0
      2200Updated Jul 19, 2017Jul 19, 2017
    • A python parser for the XDM calculation code, postg
      Python
      GNU General Public License v3.0
      0000Updated Jun 19, 2017Jun 19, 2017
    • Lennard-Jones parameters space
      Python
      Other
      0000Updated Mar 1, 2017Mar 1, 2017
    • Example input files for CHARMM-TURBOMOLE QM/MM MD simulations.
      Python
      3500Updated Feb 24, 2017Feb 24, 2017
    • Python
      1100Updated Aug 20, 2016Aug 20, 2016
    • 0000Updated Jun 14, 2016Jun 14, 2016
    • An open source conformational search method.
      Python
      5300Updated May 14, 2016May 14, 2016
    • A program to calculate the dielectric constant of a homogeneous liquid from a NAMD DCD/PSF file
      C
      0200Updated Mar 15, 2016Mar 15, 2016
    • A set of scripts to perform a conformation search using replica-exchange MD features of the CHARMM molecular modeling code.
      Shell
      3600Updated Aug 9, 2014Aug 9, 2014
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