openbiosim Goto Github PK
Name: The OpenBioSim Community Interest Company
Type: Organization
The OpenBioSim Community Interest Company's Projects
biosimspace
An interoperable Python framework for biomolecular simulation.
biosimspace_bigtests
The collection of larger integration test for BioSimSpace. These are run against each release to validate benchmarks for various types of simulation.
biosimspace_tutorials
A tutorials suite for BioSimSpace.
biosimspace_website
Repository used to build and host the BioSimSpace website.
containers
Repository for the files used to create all of the OpenBioSim containers
kcombu_bss
Fork of the kcombu (BSD) program, aiming to make this easier to install on the range of platforms supported by BioSimSpace
openbiosetup
Tools for biomolecular simulation preparation pipeline construction
openmmtools
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
posts
Repository for the notebooks and other material used for creating posts and blog entries for openbiosim.org
psi4-isambard
Conda recipe for building a patched version of Psi4 on Isambard AI.
sire
Sire Molecular Simulations Framework
sire_bigtests
The collection of larger integration test for sire. These are run before release, rather than run on every commit.
sire_website
Repository used to build and host the sire website
somd2
SOMD2 molecular dynamics for free energy calculations
somd2_examples
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