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  1. EGNO EGNO Public

    ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics

    Python 48 6

  2. GeoLDM GeoLDM Public

    Geometric Latent Diffusion Models for 3D Molecule Generation

    Python 211 43

  3. GeoDiff GeoDiff Public

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

    Python 335 73

  4. ConfVAE-ICML21 ConfVAE-ICML21 Public

    An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)

    Python 51 17

  5. Discriminator-Contrastive-Divergence Discriminator-Contrastive-Divergence Public

    Python 6 1

  6. Neural-Coding-IABF Neural-Coding-IABF Public

    Python 10 4