PaccMann/paccmann_gp PaccMann/paccmann_gp

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  • Rank 1,807,489 (Top 36 %)
  • Language
    Python
  • License
    MIT License
  • Created over 3 years ago
  • Updated 8 months ago
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PaccMann/paccmann_gp
github

PaccMann

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Repository Details

PyTorch/skopt based implementation of Bayesian optimization with Gaussian processes - build to optimize latent spaces of VAEs to generate molecules with desired properties

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