Fragment based

  • CRem: open-source Python framework to generate chemical structures using a fragment-based approach
    Code Last Commit Publication
  • FASMIFRA: Generate molecules fast from a molecular training set while also doing training-set distribution matching
    Code Last Commit Publication
  • FraHMT: FraHMT: A Fragment-Oriented Heterogeneous Graph Molecular Generation Model for Target Proteins
    Code Last Commit Publication
  • MiCaM (De Novo Molecular Generation via Connection-aware Motif Mining): Introduces a novel approach for de novo molecular generation by mining connection-aware motifs from molecular structures, aiming to enhance molecule generation processes.
    Code Last Commit Publication
  • Molecule Generator: A fragment-based molecular generation method (standalone)
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