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fix swa bug and remove e3nn fixed version #589

Merged
merged 18 commits into from
Oct 1, 2024
Merged

fix swa bug and remove e3nn fixed version #589

merged 18 commits into from
Oct 1, 2024

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ilyes319
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Hongyu-yu and others added 17 commits September 5, 2024 09:24
Bug will come out when swa is not used at the end of training.
```
mace/tools/train.py", line 262, in train
    if patience_counter >= patience and epoch < swa.start:
AttributeError: 'NoneType' object has no attribute 'start'
```
Fix bug about undefined swa
… return path to checkpoint

for use with openmmml.MLPotential
Split `download_mace_mp_checkpoint` out of `mace_mp`
Allow creation of MACECalculator without needing to write a checkpoint to disk.
@ilyes319 ilyes319 merged commit 056a4c0 into main Oct 1, 2024
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5 participants