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  1. ICML2021-Gem ICML2021-Gem Public

    Official code for the ICML 2021 paper "Generative Causal Explanations for Graph Neural Networks."

    Jupyter Notebook 65 8

  2. WanyuGroup/CVPR2022-OrphicX WanyuGroup/CVPR2022-OrphicX Public

    Official code for the CVPR 2022 (oral) paper "OrphicX: A Causality-Inspired Latent Variable Model for Interpreting Graph Neural Networks."

    Python 37 12

  3. WanyuGroup/ICLR2025-GOAT WanyuGroup/ICLR2025-GOAT Public

    Official code for the ICLR2025 paper "GOAT: Accelerating 3D Molecule Generation via Jointly Geometric Optimal Transport"

    Python 7

  4. WanyuGroup/AI-for-Crystal-Materials WanyuGroup/AI-for-Crystal-Materials Public

    AI for crystal materials

    206 16

  5. WanyuGroup/ICLR2026-GGND WanyuGroup/ICLR2026-GGND Public

    Official implementation of Geometric Graph Neural Diffusion (GGND) integrated with MACE for learning generalizable molecular force fields.

    Python

  6. WanyuGroup/CVPR2026-MMCP-GEN WanyuGroup/CVPR2026-MMCP-GEN Public

    Official code for the CVPR2026 paper "MMCP-GEN: A Modality-Extensible Diffusion Language Model for Conditional Protein Sequence Generation"

    Python 4 1