Giters
HECBioSim

HECBioSim

Geek Repo

This is the development repository of the UK High End Computing Consortium for Biomolecular Simulation.

Location:UK

Home Page:http://www.hecbiosim.ac.uk

Github PK Tool:Github PK Tool

HECBioSim's repositories

Longbow

Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.

Language:PythonLicense:NOASSERTIONStargazers:17Issues:6Issues:91

hpcbench

A set of benchmarks for biomolecular simulation tools

Language:PythonLicense:AGPL-3.0Stargazers:2Issues:0Issues:0

longbow-chemshell-grabber

A basic script for using Longbow to launch pyChemshell jobs and periodically extract energies for use in Jupyter notebooks

Language:PythonLicense:BSD-3-ClauseStargazers:1Issues:2Issues:0