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A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
Created
2014-10-19
1,738 commits to main branch, last one about a month ago
The Open Free Energy toolkit
Created
2022-01-24
2,746 commits to main branch, last one a day ago
Differentiate all the things!
Created
2018-12-26
1,379 commits to master branch, last one 3 days ago
scalable molecular simulation
Created
2022-11-18
865 commits to main branch, last one a day ago
An interoperable Python framework for biomolecular simulation.
Created
2023-01-26
4,572 commits to devel branch, last one 8 days ago
A Python library and command line interface for automated free energy calculations
Created
2021-07-16
1,096 commits to main branch, last one 11 days ago
Sire Molecular Simulations Framework
Created
2023-01-06
4,408 commits to devel branch, last one 8 days ago
This package contains tools for setting up hybrid-topology FE calculations
Created
2023-01-27
323 commits to main branch, last one a day ago