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README.md

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[![GitHub Actions Build Status](https://github.com/wiederm/transformato/workflows/CI/badge.svg)](https://github.com/wiederm/transformato/actions?query=workflow%3ACI)
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Transformato is a package that helps to set up relative alchemical free energy calculations of small molecules with a common core scaffold, either for solvation free energy[^1] or binding free energy estimates. The package is designed to be used with output generated by [CHARMM-GUI](https://charmm-gui.org/).
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