choderalab/yank

.. _benchmarks:

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Validation and Accuracy Benchmarks
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We are working on a set of validation simulations to ensure that YANK correctly reproduces converged free energy estimates from previous studies.
You can find input files in `the yank-validation repo <https://github.com/choderalab/yank-validation>`_.

A benchmark set, comparing computed and experimental free energies, is currently being compiled.
You can follow our progress at `the yank-benchmark repo <https://github.com/choderalab/yank-benchmark>`_.