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BindFlow is a snakemake-based workflow for ABFE calculations using GROMACS.
The installation instructions, documentation and tutorials can be found online on ReadTheDocs.
If you have found a bug, please open an issue on the GitHub Issues.
If you have questions on how to use BindFlow, or if you want to give feedback or share ideas and new features, please head to the GitHub Discussions.
Please refer to the citation page on the documentation.
This project received funding from Marie Skłodowska-Curie Actions. It was developed in the Computational Biophysics Group of Saarland University.
This project was forked from ABFE_workflow.