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InstaNovo 1.0.0

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@KevinEloff KevinEloff released this 09 Oct 16:42
· 4 commits to main since this release
971c367

Improved code utility and data validation

  • Check labels match precursor
  • Check for data leakage
  • Verify residue vocabulary
  • Added better residue support
    • Fine-tuning trainer automatically updates model weights with new sizes
  • Added Flash attention, torch.compile(), AMP (fp16)
  • Added improved fast greedy search
  • Improved test coverage

Added Spectrum Data Handler

  • Supports lazy loading with asynchronous prefetching
  • Filtering and sampling performed non-destructively (by updating the row filter)
  • Two-fold shuffling strategy for training ensures optimal load times

Extended model checkpoint released. Trained on 32M spectra with additional PTMs:

  • AC-PT
  • Additional PRIDE dataset
  • Additional phosphorylation dataset