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Artificial Intelligence Research for Science (AIRS)
Python 541 63
A library for graph deep learning research
Python 1.9k 284
Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
Python 107 24
Python 163 26
GOOD: A Graph Out-of-Distribution Benchmark [NeurIPS 2022 Datasets and Benchmarks]
Python 189 19
Python 136 65
Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.
The implementation of "Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization" (NeurIPS 2023)
Active Test-Time Adaptation: Theoretical Analyses and An Algorithm [ICLR 2024]
Save data or other files for DIG library usage
Official implementation of "Gradient-Guided Importance Sampling for Learning Binary Energy-Based Models" [ICLR2023]