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1. AIRS AIRS Public

   Artificial Intelligence Research for Science (AIRS)

   Jupyter Notebook 782 95

2. DIG DIG Public

   A library for graph deep learning research

   Python 2k 289

3. GraphBP GraphBP Public

   Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]

   Python 112 24

4. GOOD GOOD Public

   GOOD: A Graph Out-of-Distribution Benchmark [NeurIPS 2022 Datasets and Benchmarks]

   Python 211 22

5. Sys2Bench Sys2Bench Public

   Sys2Bench is a benchmarking suite designed to evaluate reasoning and planning capabilities of large language models across algorithmic, logical, arithmetic, and common-sense reasoning tasks.

   Python 31 5

6. MFA MFA Public

   Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.

   Jupyter Notebook 20 2