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  1. GeoDiff GeoDiff Public

    Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).

    Python 340 73

  2. TabDiff TabDiff Public

    27

  3. fPO fPO Public

    f-PO: Generalizing Preference Optimization with f-divergence Minimization

    Python 6

  4. AliDiff AliDiff Public

    NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization

    Python 19

  5. GeoLDM GeoLDM Public

    Geometric Latent Diffusion Models for 3D Molecule Generation

    Python 220 43

  6. EGNO EGNO Public

    ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics

    Python 51 6

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