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materialsvirtuallab / m3gnet

Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.
BSD 3-Clause "New" or "Revised" License
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update a concrete example to load the MPF dataset #69

Closed YKQ98 closed 1 year ago

YKQ98 commented 1 year ago

load MPF dataset from shared block_0 and block_1 files

shyuep commented 1 year ago

Thanks.