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Pull requests: ACEsuit/mace
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Add KAN readout options for MACE with possible better accuracy
#655
opened Oct 24, 2024 by
Hongyu-yu
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Last-layer prediction rigidity (LLPR)-based uncertainty quantification for MACE
#601
opened Sep 20, 2024 by
SanggyuChong
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improved selection of configs for multihead pretrained head
#570
opened Aug 26, 2024 by
bernstei
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Clean up unused Polynomial Cutoff Class from ZBLBasis, remove r_max argument.
#569
opened Aug 26, 2024 by
CompRhys
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Calculate virials and stress with vectors to get atomic virial
#528
opened Jul 21, 2024 by
pobo95
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Fix a bug in setting up loss function for stochastic weight averaging (swa)
#504
opened Jul 8, 2024 by
Zhigang-dev
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Updated in the last three days: updated:>2024-10-26.