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    62 repositories

    • AIRS

      Public
      Artificial Intelligence Research for Science (AIRS)
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •89•755•6•0•Updated Mar 30, 2026Mar 30, 2026

    • VIDD

      Public
      Iterative Distillation for Reward-Guided Fine-Tuning of Diffusion Models in Biomolecular Design
      Python
      •0•3•0•0•Updated Mar 11, 2026Mar 11, 2026

    • Survey_GenAI_Bio

      Public
      JavaScript
      •0•0•0•0•Updated Feb 13, 2026Feb 13, 2026

    • E2H-Reasoning

      Public
      Implementation of "Curriculum Reinforcement Learning from Easy to Hard Tasks Improves LLM Reasoning"
      reinforcement-learningllms
      reinforcement-learningllms
      Python
      •
      MIT License
      •1•20•1•0•Updated Feb 11, 2026Feb 11, 2026

    • OpenRLHF

      Public
      An Easy-to-use, Scalable and High-performance RLHF Framework based on Ray (PPO & GRPO & REINFORCE++ & vLLM & Ray & Dynamic Sampling & Async Agentic RL)
      Python
      •
      Apache License 2.0
      •922•0•0•0•Updated Sep 22, 2025Sep 22, 2025

    • E2H

      Public
      0•1•0•0•Updated Jun 3, 2025Jun 3, 2025

    • IFL-DIF

      Public
      Invariant function learning for ODEs: Disentanglement of Invariant Functions. The implementation of "Discovering Physics Laws of Dynamical Systems via Invariant…
      GNU General Public License v3.0
      •0•0•0•0•Updated May 28, 2025May 28, 2025

    • DSearch

      Public
      Python
      •1•7•2•0•Updated May 15, 2025May 15, 2025

    • Sys2Bench

      Public
      Sys2Bench is a benchmarking suite designed to evaluate reasoning and planning capabilities of large language models across algorithmic, logical, arithmetic, and…
      planningreasoningllms
      planningreasoningllmsllm-inferenceinference-time-compute
      Python
      •
      Apache License 2.0
      •6•30•0•0•Updated Mar 5, 2025Mar 5, 2025

    • GOOD

      Public
      GOOD: A Graph Out-of-Distribution Benchmark [NeurIPS 2022 Datasets and Benchmarks]
      deep-learningpytorchgraph-neural-networks
      deep-learningpytorchgraph-neural-networkspytorch-geometricdistribution-shiftout-of-distribution-generalizationinvariant-learninggraph-ood
      Python
      •
      GNU General Public License v3.0
      •22•209•0•0•Updated Feb 21, 2025Feb 21, 2025

    • MFA

      Public
      Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.
      Jupyter Notebook
      •
      MIT License
      •2•19•0•0•Updated Jan 18, 2025Jan 18, 2025

    • LECI

      Public
      The implementation of "Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization" (NeurIPS 2023)
      deep-learningpytorchgraph-neural-networks
      deep-learningpytorchgraph-neural-networkspytorch-geometricout-of-distribution-generalizationgraph-out-of-distriubion
      Python
      •
      GNU General Public License v3.0
      •3•22•0•0•Updated Nov 4, 2024Nov 4, 2024

    • ATTA

      Public
      Active Test-Time Adaptation: Theoretical Analyses and An Algorithm [ICLR 2024]
      active-learningdomain-adaptationtest-time-adaptation
      active-learningdomain-adaptationtest-time-adaptationactive-test-time-adaptation
      Python
      •
      GNU General Public License v3.0
      •3•27•0•0•Updated Nov 4, 2024Nov 4, 2024

    • DIG

      Public
      A library for graph deep learning research
      deep-learninggraph-generationexplainable-ml
      deep-learninggraph-generationexplainable-mlself-supervised-learning3d-graphgraph-neural-network
      Python
      •
      GNU General Public License v3.0
      •292•2k•38•4•Updated Jul 15, 2024Jul 15, 2024

    • ForgetNet

      Public
      0•3•1•0•Updated Mar 30, 2024Mar 30, 2024

    • DIG_storage

      Public
      Save data or other files for DIG library usage
      4•10•1•0•Updated Jan 19, 2024Jan 19, 2024

    • GraphBP

      Public
      Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
      Python
      •
      GNU General Public License v3.0
      •24•112•0•0•Updated Jul 20, 2023Jul 20, 2023

    • RMwGGIS

      Public
      Official implementation of "Gradient-Guided Importance Sampling for Learning Binary Energy-Based Models" [ICLR2023]
      Python
      •0•9•1•0•Updated Jan 31, 2023Jan 31, 2023

    • AEANets

      Public
      AEANets
      Python
      •
      GNU General Public License v2.0
      •0•4•0•0•Updated Oct 14, 2022Oct 14, 2022

    • DeeperGNN

      Public
      Official PyTorch implementation of "Towards Deeper Graph Neural Networks" [KDD2020]
      Python
      •
      GNU General Public License v3.0
      •31•68•0•0•Updated Oct 11, 2022Oct 11, 2022

    • Non-Local-GNN

      Public
      Official implementation of "Non-Local Graph Neural Networks" [TPAMI]
      Python
      •
      GNU General Public License v3.0
      •3•23•0•0•Updated Jul 1, 2022Jul 1, 2022

    • divelab

      Public
      0•1•0•0•Updated Jun 22, 2022Jun 22, 2022

    • DrugOOD

      Public
      OOD Dataset Curator and Benchmark for AI-aided Drug Discovery
      Python
      •
      Other
      •25•1•0•0•Updated May 20, 2022May 20, 2022

    • MoleculeX

      Public
      Python
      •
      GNU General Public License v3.0
      •24•170•6•0•Updated Feb 28, 2022Feb 28, 2022

    • Neighbor2Seq

      Public
      Official implementation of "Neighbor2Seq: Deep Learning on Massive Graphs by Transforming Neighbors to Sequences" [SDM2022]
      Python
      •
      GNU General Public License v3.0
      •0•9•0•0•Updated Feb 8, 2022Feb 8, 2022

    • wsdmcup2022

      Public
      wsdmcup2022
      Python
      •
      Apache License 2.0
      •0•3•0•0•Updated Jan 22, 2022Jan 22, 2022

    • DGML-master

      Public
      Python
      •1•1•0•0•Updated Sep 2, 2021Sep 2, 2021

    • MoleculeKit

      Public
      0•1•0•0•Updated May 29, 2021May 29, 2021

    • LGLP

      Public
      Python
      •
      GNU General Public License v3.0
      •11•21•0•0•Updated Mar 29, 2021Mar 29, 2021

    • GVTNets

      Public
      Global Voxel Transformer Networks (GVTNets)
      Python
      •
      GNU General Public License v3.0
      •4•9•0•0•Updated Mar 25, 2021Mar 25, 2021
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