gmso
Flexible storage of chemical topology for molecular simulation.
Flexible storage of chemical topology for molecular simulation.
To install this package, run one of the following:
GMSO is designed to enable the flexible, general representation of chemical topologies for molecular simulation. Efforts are made to enable lossless, bias-free storage of data, without assuming particular chemistries, models, or using any particular engine's ecosystem as a starting point.
Summary
Flexible storage of chemical topology for molecular simulation.
Last Updated
Nov 2, 2025 at 01:17
License
MIT
Total Downloads
234.9K
Supported Platforms
GitHub Repository
https://github.com/mosdef-hub/gmsoDocumentation
https://gmso.mosdef.org/