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PAO: Add prediction from equivariant PyTorch models#3738

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oschuett merged 1 commit intocp2k:masterfrom
oschuett:pao_ml_equivar
Oct 23, 2024
Merged

PAO: Add prediction from equivariant PyTorch models#3738
oschuett merged 1 commit intocp2k:masterfrom
oschuett:pao_ml_equivar

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@oschuett oschuett force-pushed the pao_ml_equivar branch 3 times, most recently from eacb434 to a311a47 Compare October 23, 2024 12:36
@oschuett oschuett merged commit 96bba07 into cp2k:master Oct 23, 2024
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