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1. PyGCL/PyGCL PyGCL/PyGCL Public

   PyGCL: A PyTorch Library for Graph Contrastive Learning

   Python 957 99

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

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

   Python 124 13

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

   A curated list of papers related to molecular diffusion models.

   85 8

4. MolSpectra MolSpectra Public

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

   Python 19 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. DiffSpectra DiffSpectra Public

   The source code of "DiffSpectra: Molecular Structure Elucidation from Spectra using Diffusion Models"

   Python 7 1