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v0.8.501

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@github-actions github-actions released this 21 Oct 21:45
· 76 commits to main since this release
  • Atom-JEPA training: gradient checkpointing and expandable CUDA segments, fixing OOM on larger molecules
  • Small doc fix
  • Add pk_utils PK curve math and fold-error metrics; plots and PK explorer reuse the Bateman helpers
  • Add ChEMBL mouse PK reference set (CL, Vdss, F, fu) pull and descriptions entry
  • Pin deploy-docs workflow to Python 3.12
  • Bump Pillow, aiohttp, certifi for Dependabot alerts
  • bumping version of workbench for all images