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1. awesome-gnns-on-large-scale-graphs awesome-gnns-on-large-scale-graphs Public

   135 13

2. divelab/DIG divelab/DIG Public

   A library for graph deep learning research

   Python 1.9k 284

3. divelab/AIRS divelab/AIRS Public

   Artificial Intelligence Research for Science (AIRS)

   Python 540 63

4. AI4DFT AI4DFT Public

   This repository is built to collect the background of the machine learning and AI techniques for density functional theory (DFT).

   4