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    • A list of papers for group meeting
      MIT License
      9800Updated May 27, 2026May 27, 2026
    • GNN_AF

      Public
      Python
      1000Updated May 26, 2026May 26, 2026
    • ReGuLaR

      Public
      The official implementation of “ReGuLaR: Variational Latent Reasoning Guided by Rendered Chain-of-Thought”
      Python
      GNU General Public License v3.0
      4000Updated Feb 2, 2026Feb 2, 2026
    • MuCO

      Public
      Python
      MIT License
      2000Updated Jan 28, 2026Jan 28, 2026
    • Python
      1000Updated Jan 27, 2026Jan 27, 2026
    • CCGSPG

      Public
      Python
      2100Updated Sep 23, 2025Sep 23, 2025
    • MMPolymer

      Public
      [CIKM2024] MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction
      Python
      GNU General Public License v3.0
      8400Updated Jul 30, 2025Jul 30, 2025
    • MoORE

      Public
      Python
      Apache License 2.0
      2000Updated Jun 23, 2025Jun 23, 2025
    • WGFormer

      Public
      [ICML2025] WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State Conformation Prediction
      Python
      GNU General Public License v3.0
      1300Updated Jun 8, 2025Jun 8, 2025
    • HRA

      Public
      [NeurIPS 2024 Spotlight] Householder Reflection Adaptation
      Python
      4300Updated Jun 2, 2025Jun 2, 2025
    • ReQFlow

      Public
      ReQFlow: Rectified Quaternion Flow for Efficient and High-Quality Protein Backbone Generation
      Python
      6000Updated May 15, 2025May 15, 2025
    • PolyConf

      Public
      [ICML2025] The official implementation of "PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models"
      GNU General Public License v3.0
      5000Updated May 1, 2025May 1, 2025
    • HCL_TPP

      Public
      [AAAI2023 Oral] The official implementation of "Hierarchical Contrastive Learning for Temporal Point Processes"
      Python
      5100Updated Mar 29, 2025Mar 29, 2025
    • Python
      3000Updated Jan 20, 2025Jan 20, 2025
    • BADMM_TPP

      Public
      [AAAI2025] The official implementation of "A Plug-and-Play Bregman ADMM Module for Inferring Event Branches in Temporal Point Processes"
      Python
      6100Updated Dec 18, 2024Dec 18, 2024
    • USPTO_LLM

      Public
      USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset
      Jupyter Notebook
      MIT License
      1000Updated Dec 12, 2024Dec 12, 2024
    • [CIKM2023] The official implementation of "MPerformer: An SE(3) Transformer-based Molecular Perceptron"
      Python
      GNU General Public License v3.0
      2400Updated Nov 27, 2024Nov 27, 2024
    • Python
      1000Updated May 24, 2024May 24, 2024
    • QW_Loss

      Public
      A Quasi-Wasserstein Loss for Learning Graph Neural Networks (QW loss)
      Python
      11000Updated May 20, 2024May 20, 2024
    • QMP

      Public
      A Plug-and-Play Quaternion Message-Passing Module for Molecular Conformation Representation
      Python
      3000Updated May 6, 2024May 6, 2024
    • Python
      1000Updated Apr 29, 2024Apr 29, 2024
    • Learnable Global Pooling Layers Based on Regularized Optimal Transport (ROT)
      Python
      MIT License
      21620Updated Mar 17, 2024Mar 17, 2024
    • A list of awesome papers and cool resources on hypercomplex neural networks.
      0500Updated Nov 13, 2023Nov 13, 2023
    • Python
      1900Updated Nov 3, 2023Nov 3, 2023
    • "Weakly-Supervised Temporal Action Alignment Driven by Unbalanced Spectral Fused Gromov-Wasserstein Distance"
      Python
      3000Updated Jul 6, 2022Jul 6, 2022
    • A Gromov-Wasserstein Learning Framework for Graph Partitioning, Matching, and Node Embedding (ICML-19, NeurIPS-19)
      Python
      10100Updated May 17, 2022May 17, 2022
    • Gromov-Wasserstein Factorization Model (AAAI-20, TPAMI-22)
      Python
      GNU General Public License v3.0
      10000Updated May 17, 2022May 17, 2022
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