Repositories list

• bddocker

  Public
  Docker image for PDB2PQR, APBS and BrownDye.

  Dockerfile

  •

  GNU General Public License v3.0

  •0•1•0•0•Updated Jan 4, 2022Jan 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.

  Python

  •4•8•0•0•Updated Aug 4, 2021Aug 4, 2021

• txbr-source

  Public
  Transform based Tracking, Bundle adjustment and Reconstruction (TxBR)

  C

  •

  Other

  •0•2•2•0•Updated Mar 10, 2020Mar 10, 2020

• electrostatics-singularity

  Public
  Molecular electrostatics singularity image

  GNU General Public License v3.0

  •0•0•0•0•Updated Apr 23, 2019Apr 23, 2019

• BrownDyeTools

  Public
  BrownDye Pymol plugin

  Python

  •

  GNU General Public License v3.0

  •0•1•0•0•Updated Feb 27, 2019Feb 27, 2019

• cuda

  Public
  Cuda Roll

  Makefile

  •8•4•3•0•Updated Oct 30, 2018Oct 30, 2018

• browndye

  Public
  Brownian Dynamics of Biological Molecules

  Makefile

  •1•0•0•0•Updated May 23, 2018May 23, 2018

• workflows

  Public
  Kepler workflows created by NBCR

  DIGITAL Command Language

  •3•1•0•0•Updated Mar 23, 2018Mar 23, 2018

• nbcr

  Public
  NBCR development setup for rolls and user environment

  Makefile

  •0•0•0•0•Updated Mar 9, 2018Mar 9, 2018

• autodock

  Public
  Molecular Docking Tools

  Python

  •3•6•0•0•Updated Dec 5, 2017Dec 5, 2017

• temperlog

  Public
  temperature logging

  Python

  •0•0•0•0•Updated Sep 12, 2017Sep 12, 2017

• blender

  Public
  Blender 3D creation suite

  Makefile

  •0•0•0•0•Updated Aug 22, 2017Aug 22, 2017

• kepler

  Public
  Kepler roll

  Makefile

  •0•1•0•0•Updated Jun 23, 2017Jun 23, 2017

• website

  Public
  NBCR website

  PHP

  •0•0•0•0•Updated May 31, 2017May 31, 2017

• apbs

  Public
  Adaptive Poisson-Boltzmann Solver

  Makefile

  •0•0•0•0•Updated May 30, 2017May 30, 2017

• cadd

  Public
  Computer-Aided Drug Discovery

  Python

  •0•0•0•0•Updated May 30, 2017May 30, 2017

• stats

  Public
  NBCR statistics

  Shell

  •0•0•0•0•Updated May 25, 2017May 25, 2017

• singularity

  Public
  Singularity containers

  Makefile

  •0•0•0•0•Updated May 25, 2017May 25, 2017

• namdGaMD

  Public
  GaMD-enabled NAMD

  C

  •0•0•0•0•Updated May 18, 2017May 18, 2017

• nbcrrolls.github.io

  Public
  NBCR test website

  JavaScript

  •0•0•0•0•Updated Jan 10, 2017Jan 10, 2017

• rosetta

  Public
  Rosetta roll

  0•1•0•0•Updated Oct 13, 2016Oct 13, 2016

• atlas

  Public
  Atlas Computational Solvent Mapping with Flexibility

  Makefile

  •0•0•0•0•Updated Oct 3, 2016Oct 3, 2016

• amber

  Public
  AMBER Molecular Dynamics

  Makefile

  •0•0•0•0•Updated Sep 29, 2016Sep 29, 2016

• amberGaMD

  Public
  GaMD patched amber

  Makefile

  •0•3•0•0•Updated Sep 29, 2016Sep 29, 2016

• namd

  Public
  NAMD - a parallel, object-oriented molecular dynamics code

  Makefile

  •5•4•0•0•Updated Sep 29, 2016Sep 29, 2016

• myrinet-mx

  Public
  Myrinet drivers and software for Myricom switch

  C

  •0•1•0•0•Updated Sep 29, 2016Sep 29, 2016

• mpi

  Public
  MPI libraries bundled with different compilers for different network fabrics

  Makefile

  •0•0•0•0•Updated Sep 29, 2016Sep 29, 2016

• chm

  Public
  CHM roll

  Makefile

  •0•0•0•0•Updated Sep 29, 2016Sep 29, 2016

• txbr

  Public
  TXBR roll: advanced Electron Tomography code suited for the processing of wide field Electron Microscope data

  Makefile

  •0•0•0•0•Updated Sep 29, 2016Sep 29, 2016

• pdb2pqr

  Public
  Poisson-Boltzmann electrostatics calculations

  Python

  •0•1•0•0•Updated May 24, 2016May 24, 2016