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1. EGNO EGNO Public

   ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics

   Python 47 6

2. GeoLDM GeoLDM Public

   Geometric Latent Diffusion Models for 3D Molecule Generation

   Python 210 42

3. GeoDiff GeoDiff Public

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

   Python 333 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