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ML+AI

General

  • graphium:
    Code Last Commit Link
  • molfeat:
    Code Last Commit Publication Link

Transformer

SELFIES

  • SELFormer: A transformer-based model utilizing SELFIES notations for learning high-quality molecular representations.
    Code Last Commit Publication

SMILES

  • BERT: A transformer model specifically designed for molecular property prediction tasks.
    Code Last Commit Publication