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alchemistry / alchemtest

the simple alchemistry test set
https://alchemtest.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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AMBER FEP dataset #20

Closed orbeckst closed 6 years ago

orbeckst commented 6 years ago

Add a FEP/MBAR data set for AMBER.

To be used with PR alchemistry/alchemlyb#51