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@HECBioSim

HECBioSim

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

Popular repositories

  1. Longbow Longbow Public

    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.

    Python 17 3

  2. hpcbench hpcbench Public

    A set of benchmarks for biomolecular simulation tools

    Python 3

  3. longbow-chemshell-grabber longbow-chemshell-grabber Public

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

    Python 1

Repositories

Showing 3 of 3 repositories
  • hpcbench Public

    A set of benchmarks for biomolecular simulation tools

    Python 3 AGPL-3.0 0 0 0 Updated May 1, 2024
  • Longbow Public

    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.

    Python 17 3 7 0 Updated Jan 13, 2020
  • longbow-chemshell-grabber Public

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

    Python 1 BSD-3-Clause 0 0 0 Updated Mar 29, 2019

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