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1. GGNN4Science GGNN4Science Public

   141 14

2. DAO DAO Public

   [Nature Communications] Official code for "Siamese Foundation Models for Crystal Structure Prediction".

   Python 11 1

3. DistEGNN DistEGNN Public

   [TPAMI 2026] Official implementation of DistEGNN: "Fast and Distributed Equivariant Graph Neural Networks by Virtual Nodes Learning"

   Python 4 1

4. GeoMix GeoMix Public

   [NeurIPS 2025] Official implementation of GeoMix: A geometry-aware model for mixture property prediction.

   Python 8 2

5. ESTAG ESTAG Public

   [NeurIPS 2023] The source code of "Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics"

   Jupyter Notebook 28 2

6. HEGNN HEGNN Public

   Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degree Representations Really Unnecessary in Equivariant Graph Ne…

   Python 34 3