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National Biomedical Computation Resource

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  1. SEEKR SEEKR Public

    SEEKR is a suite of open-source scripts and tools designed to enable researchers to perform multiscale computation of the kinetics of molecular binding, unbinding, and transport using a combination…

    Python 8 4

  2. autodock autodock Public

    Molecular Docking Tools

    Python 6 3

  3. opaltoolkit opaltoolkit Public

    Wrapping scientific applications as Web services

    JavaScript 5 3

  4. namd namd Public

    NAMD - a parallel, object-oriented molecular dynamics code

    Makefile 4 5

  5. cuda cuda Public

    Cuda Roll

    Makefile 4 8

  6. vmd vmd Public

    Visual Molecular Dynamics (UIUC)

    Shell 3 1

Repositories

Showing 10 of 43 repositories
  • bddocker Public

    Docker image for PDB2PQR, APBS and BrownDye.

    nbcrrolls/bddocker’s past year of commit activity
    Dockerfile 1 GPL-3.0 0 0 0 Updated Jan 4, 2022
  • SEEKR Public

    SEEKR is a suite of open-source scripts and tools designed to enable researchers to perform multiscale computation of the kinetics of molecular binding, unbinding, and transport using a combination of molecular dynamics, Brownian dynamics, and milestoning theory.

    nbcrrolls/SEEKR’s past year of commit activity
    Python 8 4 0 0 Updated Aug 4, 2021
  • txbr-source Public

    Transform based Tracking, Bundle adjustment and Reconstruction (TxBR)

    nbcrrolls/txbr-source’s past year of commit activity
    C 2 0 2 0 Updated Mar 10, 2020
  • electrostatics-singularity Public

    Molecular electrostatics singularity image

    nbcrrolls/electrostatics-singularity’s past year of commit activity
    0 GPL-3.0 0 0 0 Updated Apr 23, 2019
  • BrownDyeTools Public

    BrownDye Pymol plugin

    nbcrrolls/BrownDyeTools’s past year of commit activity
    Python 1 GPL-3.0 0 0 0 Updated Feb 27, 2019
  • cuda Public

    Cuda Roll

    nbcrrolls/cuda’s past year of commit activity
    Makefile 4 8 3 0 Updated Oct 30, 2018
  • browndye Public

    Brownian Dynamics of Biological Molecules

    nbcrrolls/browndye’s past year of commit activity
    Makefile 0 1 0 0 Updated May 23, 2018
  • workflows Public

    Kepler workflows created by NBCR

    nbcrrolls/workflows’s past year of commit activity
    DIGITAL Command Language 1 3 0 0 Updated Mar 23, 2018
  • nbcr Public

    NBCR development setup for rolls and user environment

    nbcrrolls/nbcr’s past year of commit activity
    Makefile 0 0 0 0 Updated Mar 9, 2018
  • autodock Public

    Molecular Docking Tools

    nbcrrolls/autodock’s past year of commit activity
    Python 6 3 0 0 Updated Dec 5, 2017
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