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  1. RandomWalk RandomWalk Public

    Representing Molecules over Interpretable Grammars (ICML 2024 Spotlight)

    Python 12

  2. SynthesisNet SynthesisNet Public

    Procedural Synthesis of Synthesizable Molecules (ICLR 2025)

    Python 11

  3. induction induction Public

    Foundation Molecular Grammar: Multi-Modal Foundation Models Induce Interpretable Molecular Graph Languages (ICML 2025) & Directed Graph Grammars for Sequence-based Learning (ICML 2025)

    Python 21 3

  4. GeoBPE GeoBPE Public

    Geometric Byte Pair Encoding of Protein Structure (ICLR 2026)

    Python 32 4