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docs: link the TorchNEP_models examples repository
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docs: link the TorchNEP_models examples repository
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add predict_dataset_shared
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tests: nep_best vs nep_final compares the guaranteed weighted true lo…
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torchnep 1.0.3a2: streamed predict_dataset (chunked neighbor lists, b…
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torchnep 1.0.3a1
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torchnep 1.0.3a1
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use_compile auto default; print/prediction interval defaults
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swa_start as a function argument; trim README parameter docs
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torchnep 1.0.2
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ZBL into the make_fx autograd graph; ag+compile in DDP; v1.0.2b2
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Merge pull request #5 from mushroomfire/qscaler-default
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Default use_gpumd_qscaler to False
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README: badges and emoji polish
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