gmxapi specifications


Unique identifier OMICS_29198
Name gmxapi
Software type Framework/Library, Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Programming languages Python
License GNU Lesser General Public License version 2.1
Computer skills Advanced
Version 0.0.4
Stability Stable
cmake, py, setuptools, scikit-build, networkx
Maintained Yes



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  • person_outline Peter M. Kasson <>

Additional information

Publication for gmxapi

gmxapi institution(s)
Department of Biomedical Engineering, University of Virginia, Charlottesville VA, USA; Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville VA, USA
gmxapi funding source(s)
Supported by the National Institutes of Health [R01GM115790 ], a MolSSI fellowship and a Blue Waters fellowship.

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