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  1. PyGCL/PyGCL PyGCL/PyGCL Public

    PyGCL: A PyTorch Library for Graph Contrastive Learning

    Python 954 97

  2. GSL-Benchmark/GSLB GSL-Benchmark/GSLB Public

    A comprehensive benchmark of Graph Structure Learning (NeurIPS 2023 Datasets and Benchmarks Track)

    Python 120 13

  3. awesome-molecular-diffusion-models awesome-molecular-diffusion-models Public

    A curated list of papers related to molecular diffusion models.

    64 5

  4. MolSpectra MolSpectra Public

    [ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"

    Python 16 2

  5. CRIPAC-DIG/AUG-MAE CRIPAC-DIG/AUG-MAE Public

    Code for AAAI'24 paper "Rethinking Graph Masked Autoencoders through Alignment and Uniformity”.

    Python 14 1

  6. CRIPAC-DIG/Pin-Tuning CRIPAC-DIG/Pin-Tuning Public

    [NeurIPS 2024] The source code of "Pin-Tuning: Parameter-Efficient In-Context Tuning for Few-Shot Molecular Property Prediction"

    Python 8