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MLFF for Silicon #407

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knc6 opened this issue Feb 7, 2024 · 0 comments
Open

MLFF for Silicon #407

knc6 opened this issue Feb 7, 2024 · 0 comments
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question Further information is requested

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knc6 commented Feb 7, 2024

Training a silicon MLFF with nequip shows reasonable force error but high energy MAEs. A colab notebook is kept here . Any thoughts on what could be going wrong in terms of setting config parameters etc.?
@knc6 knc6 added the question Further information is requested label Feb 7, 2024
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