openmm-mdanalysis-reporter๏ƒ

๐Ÿ–‹๏ธ Authors: openmm-mdanalysis-reporter authors
๐Ÿ  Project home: https://github.com/sef43/openmm-mdanalysis-reporter
๐Ÿ“– Documentation: https://github.com/sef43/openmm-mdanalysis-reporter/blob/main/README.md
โš–๏ธ License: MIT
๐Ÿ”‘ Keywords: OpenMM, Reporters
๐Ÿงช Tests (latest): openmm-mdanalysis-reporter develop CI status
๐Ÿงช Tests (develop): openmm-mdanalysis-reporter develop CI status
Description:
MDAnalysis based reporters for OpenMM

Installation instructions๏ƒ

The latest version of openmm-mdanalysis-reporter can be installed using the following:

mamba install -c jaimergp/label/unsupported-cudatoolkit-shim -c conda-forge --strict-channel-priority openmm
pip install openmm-mdanalysis-reporter

The source code of openmm-mdanalysis-reporter can be installed using the following:

mamba install -c jaimergp/label/unsupported-cudatoolkit-shim -c conda-forge --strict-channel-priority openmm
git clone https://github.com/sef43/openmm-mdanalysis-reporter.git
cd openmm-mdanalysis-reporter
pip install .