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@molML

Molecular Machine Learning

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  1. MoleculeACE MoleculeACE Public

    A tool for evaluating the predictive performance on activity cliff compounds of machine learning models

    Python 170 20

  2. s4-for-de-novo-drug-design s4-for-de-novo-drug-design Public

    The official codebase of the paper "Chemical language modeling with structured state space sequence models"

    HTML 61 5

  3. traversing_chem_space traversing_chem_space Public

    Python 20 4

  4. peptidy peptidy Public

    Python 10

  5. chemical-language-processing-for-bioactivity-prediction chemical-language-processing-for-bioactivity-prediction Public

    The official codebase for the paper "A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction"

    Python 4 2

  6. Nano_Particles_Active_Learning Nano_Particles_Active_Learning Public

    Python 3

Repositories

Showing 10 of 11 repositories
  • molML/jungle-of-generative-drug-discovery’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Dec 25, 2024
  • molML/activeML-navigation-of-condensate-phases’s past year of commit activity
    Python 0 GPL-3.0 0 0 0 Updated Dec 9, 2024
  • chemical-language-processing-for-bioactivity-prediction Public

    The official codebase for the paper "A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction"

    molML/chemical-language-processing-for-bioactivity-prediction’s past year of commit activity
    Python 4 2 0 0 Updated Sep 11, 2024
  • molML/traversing_chem_space’s past year of commit activity
    Python 20 MIT 4 0 0 Updated Aug 18, 2024
  • s4-for-de-novo-drug-design Public

    The official codebase of the paper "Chemical language modeling with structured state space sequence models"

    molML/s4-for-de-novo-drug-design’s past year of commit activity
    HTML 61 MIT 5 0 0 Updated Aug 1, 2024
  • deep-cocrystal Public

    The official codebase of the paper "Deep Supramolecular Language Processing for Co-crystal Prediction"

    molML/deep-cocrystal’s past year of commit activity
    PureBasic 1 0 0 0 Updated Aug 1, 2024
  • molML/Nano_Particles_Active_Learning’s past year of commit activity
    Python 3 MIT 0 0 0 Updated May 29, 2024
  • MoleculeACE Public

    A tool for evaluating the predictive performance on activity cliff compounds of machine learning models

    molML/MoleculeACE’s past year of commit activity
    Python 170 MIT 20 1 0 Updated Apr 10, 2024
  • peptidy Public
    molML/peptidy’s past year of commit activity
    Python 10 MIT 0 0 0 Updated Mar 6, 2024
  • molML/de-novo-design-with-lstm’s past year of commit activity
    Python 1 0 0 0 Updated Jan 31, 2024

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