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PharminfoVienna

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  1. Off-target-P-ML Off-target-P-ML Public

    Forked from DohaNaga/Off-target-P-ML

    This repository contains the necessary scripts to derive off-target models through (1) A neural network framework based on Keras and Tensorflow (2)An autmomated machine learning framework based on …

    R 8 5

  2. Retraining_Notebook Retraining_Notebook Public

    Using Jupyter Notebooks for Re-training Machine Learning Models

    Jupyter Notebook 7 7

  3. COVER-Conformational-Oversampling COVER-Conformational-Oversampling Public

    This repository contains data and scripts used for the paper COVER Conformational oversampling as data augmentation for molecules

    Python 5 5

  4. Mitochondrial-Toxicity Mitochondrial-Toxicity Public

    Repository containing two data-sets as well as models and structural alerts for mitochondrial toxicity prediction

    Python 4 2

  5. Chemical-Structure-Standardisation Chemical-Structure-Standardisation Public

    This repository contains KNIME workflows used to standardise chemical structures

    Python 3 3

  6. sandbox sandbox Public

    The PharminfoVienna Sandbox is a tool combining data gathering and model building of classification models.

    1

Repositories

Showing 10 of 11 repositories
  • IFNg_models Public Forked from Abir-Omran/IFNg_models
    PharminfoVienna/IFNg_models’s past year of commit activity
    Python 0 1 0 0 Updated Oct 3, 2024
  • macrocyc Public

    The visualisation for the manuscript "

    PharminfoVienna/macrocyc’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jun 4, 2023
  • OffTargetKnimeNode Public

    This is s set of models from "Naga, D., Muster, W., Musvasva, E. et al. Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules. Cheminform 14, 27 (2022)" packed into a KNIME node

    PharminfoVienna/OffTargetKnimeNode’s past year of commit activity
    Python 0 0 0 0 Updated Feb 23, 2023
  • cmpOffTargets Public

    The visualisation for the manuscript "Identifying Differences in the Performance of Machine Learning Models for off-Targets trained on publicly available and proprietary datasets"

    PharminfoVienna/cmpOffTargets’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated Feb 15, 2023
  • Retraining_Notebook Public

    Using Jupyter Notebooks for Re-training Machine Learning Models

    PharminfoVienna/Retraining_Notebook’s past year of commit activity
    Jupyter Notebook 7 7 0 0 Updated Jul 24, 2022
  • Off-target-P-ML Public Forked from DohaNaga/Off-target-P-ML

    This repository contains the necessary scripts to derive off-target models through (1) A neural network framework based on Keras and Tensorflow (2)An autmomated machine learning framework based on AutoGluon

    PharminfoVienna/Off-target-P-ML’s past year of commit activity
    R 8 7 0 0 Updated May 9, 2022
  • sandbox Public

    The PharminfoVienna Sandbox is a tool combining data gathering and model building of classification models.

    PharminfoVienna/sandbox’s past year of commit activity
    1 0 0 0 Updated Nov 29, 2021
  • Mitochondrial-Toxicity Public

    Repository containing two data-sets as well as models and structural alerts for mitochondrial toxicity prediction

    PharminfoVienna/Mitochondrial-Toxicity’s past year of commit activity
    Python 4 MIT 2 0 0 Updated May 29, 2020
  • Chemical-Structure-Standardisation Public

    This repository contains KNIME workflows used to standardise chemical structures

    PharminfoVienna/Chemical-Structure-Standardisation’s past year of commit activity
    Python 3 GPL-3.0 3 1 0 Updated Jan 31, 2020
  • COVER-Conformational-Oversampling Public

    This repository contains data and scripts used for the paper COVER Conformational oversampling as data augmentation for molecules

    PharminfoVienna/COVER-Conformational-Oversampling’s past year of commit activity
    Python 5 5 0 0 Updated Oct 31, 2019
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