National Biomedical Computation Resource

nbcrrolls

University of California, San Diego

http://nbcr.ucsd.edu

National Biomedical Computation Resource's repositories

SEEKR

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.

Language:Python8 7 4

autodock

Molecular Docking Tools

Language:Python6 20

cuda

Cuda Roll

Language:Makefile4 6 8

namd

NAMD - a parallel, object-oriented molecular dynamics code

Language:Makefile400

txbr-source

Transform based Tracking, Bundle adjustment and Reconstruction (TxBR)

Language:CNOASSERTION2 5 6

amberGaMD

GaMD patched amber

Language:Makefile1 30

bddocker

Docker image for PDB2PQR, APBS and BrownDye.

Language:DockerfileGPL-3.01 20

BrownDyeTools

BrownDye Pymol plugin

Language:PythonGPL-3.01 20

kepler

Kepler roll

Language:Makefile1 30

myrinet-mx

Myrinet drivers and software for Myricom switch

Language:C1 30

pdb2pqr

Poisson-Boltzmann electrostatics calculations

Language:Python1 10

rosetta

Rosetta roll

1 30

workflows

Kepler workflows created by NBCR

Language:DIGITAL Command Language1 70

amber

AMBER Molecular Dynamics

Language:Makefile000

apbs

Adaptive Poisson-Boltzmann Solver

Language:Makefile000

atlas

Atlas Computational Solvent Mapping with Flexibility

Language:Makefile000

blender

Blender 3D creation suite

Language:Makefile040

browndye

Brownian Dynamics of Biological Molecules

Language:Makefile030

cadd

Computer-Aided Drug Discovery

Language:Python010

chm

CHM roll

Language:Makefile000

electrostatics-singularity

Molecular electrostatics singularity image

GPL-3.0000

mpi

MPI libraries bundled with different compilers for different network fabrics

Language:Makefile030

namdGaMD

GaMD-enabled NAMD

Language:C030

nbcr

NBCR development setup for rolls and user environment

Language:Makefile000

nbcrrolls.github.io

NBCR test website

Language:JavaScript030

singularity

Singularity containers

Language:Makefile030

stats

NBCR statistics

Language:Shell000

temperlog

temperature logging

Language:Python030

txbr

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

Language:Makefile000

website

NBCR website

Language:PHP070