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    • TranSiGen

      Public
      Jupyter Notebook
      MIT License
      829181Updated Jan 21, 2025Jan 21, 2025
    • Principal moments of inertia (PMI) - a computational method to rapidly assess and visualize the diversity in molecular shape associated with a given compound set.
      Jupyter Notebook
      0000Updated Dec 31, 2024Dec 31, 2024
    • PertKGE

      Public
      Identifying compound-protein interactions with knowledge graph embedding of perturbation transcriptomics
      Python
      MIT License
      3900Updated Dec 19, 2024Dec 19, 2024
    • BBBP-KRAS

      Public
      Python
      0100Updated Dec 16, 2024Dec 16, 2024
    • PBCNet

      Public
      Python
      Apache License 2.0
      1020Updated Jul 15, 2024Jul 15, 2024
    • miCGR

      Public
      Python
      1400Updated Jul 5, 2024Jul 5, 2024
    • Python
      GNU General Public License v2.0
      0510Updated Apr 23, 2024Apr 23, 2024
    • TG468

      Public
      TG468: A Text Graph Convolutional Network for Predicting Clinical Response to Immune Checkpoint Inhibitor Therapy
      Python
      0100Updated Jan 31, 2024Jan 31, 2024
    • In Silico Off-Target Profiling for Enhanced Drug Safety Assessment
      Jupyter Notebook
      4710Updated Dec 12, 2023Dec 12, 2023
    • Python
      Apache License 2.0
      0000Updated Dec 11, 2023Dec 11, 2023
    • GVP-MSA

      Public
      Python
      0000Updated Dec 10, 2023Dec 10, 2023
    • Python
      0000Updated Dec 10, 2023Dec 10, 2023
    • CPI-IGAE

      Public
      Python
      0000Updated Dec 9, 2023Dec 9, 2023
    • RTlogD

      Public
      Jupyter Notebook
      1000Updated Dec 8, 2023Dec 8, 2023
    • Tora3D

      Public
      Python
      0000Updated Dec 8, 2023Dec 8, 2023
    • Python
      0100Updated Dec 8, 2023Dec 8, 2023
    • Python
      Other
      3000Updated Dec 6, 2023Dec 6, 2023
    • Graph-pKa

      Public
      The o 7A94 fficial implementation of the paper Multi-instance learning of graph neural networks for aqueous pKa prediction
      Jupyter Notebook
      MIT License
      0110Updated Dec 6, 2023Dec 6, 2023
    • the code for calculating the diversity of molecular libraries
      HTML
      0000Updated Dec 5, 2023Dec 5, 2023
    • SSGCN

      Public
      SSGCN-pytorch
      Python
      1100Updated Dec 5, 2023Dec 5, 2023
    • Python
      Apache License 2.0
      0000Updated Dec 4, 2023Dec 4, 2023
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