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@drorlab @SJTU-SCS @DeepGraphLearning
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  1. GeoLDM GeoLDM Public

    Geometric Latent Diffusion Models for 3D Molecule Generation

    Python 182 35

  2. GeoDiff GeoDiff Public

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

    Python 315 67

  3. ConfVAE-ICML21 ConfVAE-ICML21 Public

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

    Python 50 17

  4. Discriminator-Contrastive-Divergence Discriminator-Contrastive-Divergence Public

    Python 6 1

  5. DeepGraphLearning/GraphAF DeepGraphLearning/GraphAF Public

    50 5

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

    Python 9 4