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NAMD datasets

alchemtest.namd

The alchemlyb.namd module features datasets generated using the NAMD molecular dynamics engine. They can be accessed using the following accessor functions:

alchemtest.namd

load_tyr2ala load_idws

alchemtest.namd.load_tyr2ala

alchemtest.namd.load_idws

alchemtest.namd.load_restarted

alchemtest.namd.load_restarted_reversed