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v0.2.0 - Boltz-1 support (+ ligands)

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@colbyford colbyford released this 12 Dec 22:59
· 50 commits to main since this release

Thanks to @ullahsamee, we now have more stable support for Boltz-1!

There is also support for:

  • ESM3 temperature and number of steps
  • Boltz-1 ligands (SMILES and CCD) and controls for recycling steps, sampling steps, and MSA server usage
  • Chai-1 (still in beta) controls for recycling steps, diffusion steps, and seed
  • General control for AlphaFold-like color of confidences