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    21 repositories

    • TranSiGen

      Public
      Jupyter Notebook
      •
      MIT License
      •8•29•18•1•Updated Jan 21, 2025Jan 21, 2025

    • PMI_calculator

      Public
      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
      •0•0•0•0•Updated Dec 31, 2024Dec 31, 2024

    • PertKGE

      Public
      Identifying compound-protein interactions with knowledge graph embedding of perturbation transcriptomics
      Python
      •
      MIT License
      •3•9•0•0•Updated Dec 19, 2024Dec 19, 2024

    • BBBP-KRAS

      Public
      Python
      •0•1•0•0•Updated Dec 16, 2024Dec 16, 2024

    • PBCNet

      Public
      Python
      •
      Apache License 2.0
      •1•0•2•0•Updated Jul 15, 2024Jul 15, 2024

    • miCGR

      Public
      Python
      •1•4•0•0•Updated Jul 5, 2024Jul 5, 2024

    • transformerCPI2.0

      Public
      Python
      •
      GNU General Public License v2.0
      •0•5•1•0•Updated Apr 23, 2024Apr 23, 2024

    • TG468

      Public
      TG468: A Text Graph Convolutional Network for Predicting Clinical Response to Immune Checkpoint Inhibitor Therapy
      Python
      •0•1•0•0•Updated Jan 31, 2024Jan 31, 2024

    • Offtarget_drugsafety

      Public
      In Silico Off-Target Profiling for Enhanced Drug Safety Assessment
      Jupyter Notebook
      •4•7•1•0•Updated Dec 12, 2023Dec 12, 2023

    • KinomeMETA

      Public
      Python
      •
      Apache License 2.0
      •0•0•0•0•Updated Dec 11, 2023Dec 11, 2023

    • GVP-MSA

      Public
      Python
      •0•0•0•0•Updated Dec 10, 2023Dec 10, 2023

    • MolFilterGAN

      Public
      Python
      •0•0•0•0•Updated Dec 10, 2023Dec 10, 2023

  • CPI-IGAE

    Public
    Python
    •0•0•0•0•Updated Dec 9, 2023Dec 9, 2023

  • RTlogD

    Public
    Jupyter Notebook
    •1•0•0•0•Updated Dec 8, 2023Dec 8, 2023

  • Tora3D

    Public
    Python
    •0•0•0•0•Updated Dec 8, 2023Dec 8, 2023

  • BBB_uncertainty_project

    Public
    Python
    •0•1•0•0•Updated Dec 8, 2023Dec 8, 2023

  • GraphRepur

    Public
    Python
    •
    Other
    •3•0•0•0•Updated Dec 6, 2023Dec 6, 2023

  • Graph-pKa

    Public
    The official implementation of the paper Multi-instance learning of graph neural networks for aqueous pKa prediction
    Jupyter Notebook
    •
    MIT License
    •0•1•1•0•Updated Dec 6, 2023Dec 6, 2023

  • DrugspaceX-Pul-

    Public
    the code for calculating the diversity of molecular libraries
    HTML
    •0•0•0•0•Updated Dec 5, 2023Dec 5, 2023

  • SSGCN

    Public
    SSGCN-pytorch
    Python
    •1•1•0•0•Updated Dec 5, 2023Dec 5, 2023

  • transformerCPI

    Public
    Python
    •
    Apache License 2.0
    •0•0•0•0•Updated Dec 4, 2023Dec 4, 2023
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