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alchemistry / alchemlyb

the simple alchemistry library
https://alchemlyb.readthedocs.io
BSD 3-Clause "New" or "Revised" License
185 stars 49 forks source link

Support for FEP calculation in LAMMPS #349

Open jaclark5 opened 4 months ago

jaclark5 commented 4 months ago

It would be nice if this package was compatible with the outputs of LAMMPS FEP package.