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Artificial Intelligence Research for Science (AIRS)
Python 420 54
A library for graph deep learning research
Python 1.8k 275
Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
Python 99 25
Python 157 26
GOOD: A Graph Out-of-Distribution Benchmark [NeurIPS 2022 Datasets and Benchmarks]
Python 176 19
Python 136 67
Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.
Active Test-Time Adaptation: Theoretical Analyses and An Algorithm [ICLR 2024]
The implementation of "Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization" (NeurIPS 2023)
Save data or other files for DIG library usage
Official implementation of "Gradient-Guided Importance Sampling for Learning Binary Energy-Based Models" [ICLR2023]