Welcome to BindFlow’s documentation!#

BindFlow#

logo

Documentation

Documentation

Source Code

GitHub-Repo

Build

pypi-version

Python Versions

pyversions

Dependencies

rdkit

License

license

Description#

BindFlow is a snakemake-based workflow for ABFE calculations using GROMACS.

Documentation#

The installation instructions, documentation and tutorials can be found online on ReadTheDocs.

Issues#

If you have found a bug, please open an issue on the GitHub Issues.

Discussion#

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.

Citing BindFlow#

Please refer to the citation page on the documentation.

Funding#

This project received funding from Marie Skłodowska-Curie Actions. It was developed in the Computational Biophysics Group of Saarland University.

Acknowledgment#

This project was forked from ABFE_workflow.

Index#

Indices and tables#