start 2026-10-03T22:20:41Z
Seed set to 42
GPU available: True (mps), used: True
TPU available: False, using: 0 TPU cores
💡 Tip: For seamless cloud logging and experiment tracking, try installing [litlogger](https://pypi.org/project/litlogger/) to enable LitLogger, which logs metrics and artifacts automatically to the Lightning Experiments platform.
/Users/timrichardson/Documents/projects/personal/blog/rewire.it/workbench/outputs/blog-post-msms-model-selection-20261003-230223/runs/external/msalign-src/.venv/lib/python3.11/site-packages/lightning/pytorch/callbacks/model_checkpoint.py:881: Checkpoint directory /Users/timrichardson/Documents/projects/personal/blog/rewire.it/workbench/outputs/blog-post-msms-model-selection-20261003-230223/runs/S01-smoke-dreams-morgan-20261003T222041Z/checkpoints exists and is not empty.

  | Name           | Type                   | Params | Mode  | FLOPs
--------------------------------------------------------------------------
0 | ms_pre         | MLP                    | 524 K  | train | 0    
1 | energy_encoder | CollisionEnergyEncoder | 32     | train | 0    
2 | adduct_encoder | AdductEncoder          | 96     | train | 0    
3 | ms_post        | MLP                    | 6.4 M  | train | 0    
4 | mol            | MLP                    | 17.8 M | train | 0    
  | other params   | n/a                    | 1      | n/a   | n/a  
--------------------------------------------------------------------------
24.8 M    Trainable params
0         Non-trainable params
24.8 M    Total params
99.220    Total estimated model params size (MB)
33        Modules in train mode
0         Modules in eval mode
0         Total Flops

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 The volume ‚ÄúMacintosh HD‚Äù is out of space. You can‚Äôt save the file ‚Äúmpsgraph-51156-2026-10-03_23_21_43-3729378363‚Äù because the volume ‚ÄúMacintosh HD‚Äù is out of space.

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