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v3.4.2: AMP for ab-initio reconstruction; faster pose parsing #419

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Nov 4, 2024
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@michal-g michal-g commented Nov 1, 2024

In this patch release we have extended the use of mixed precision training (as implemented in torch.cuda.amp), already the default for train_nn and train_vae, to the ab-initio reconstruction commands abinit_homo and abinit_het, resulting in observed speedups of 2-4x.

We have also vectorized rotation matrix computation in parse_pose_star for a ~100x speedup (#143), as well as fixed issues with analyze_landscape_full (#409, #413) and downsample (#412).

@michal-g michal-g requested a review from zhonge as a code owner November 1, 2024 18:02
@michal-g michal-g self-assigned this Nov 1, 2024
@michal-g michal-g merged commit 196365d into main Nov 4, 2024
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@michal-g michal-g deleted the v3.4.2 branch November 4, 2024 15:28
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