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SoseiHeptares

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  1. smizip smizip Public

    An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings

    Python 9 3

  2. presentations presentations Public

    3

  3. workflows workflows Public

    Forked from 3D-e-Chem/workflows

    KNIME workflows developed in project using nodes developed in project.

  4. teachopencadd teachopencadd Public

    Forked from volkamerlab/teachopencadd

    TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

    Jupyter Notebook

  5. pycdxml pycdxml Public

    Forked from kienerj/pycdxml

    Tools to automatically convert and proccess cdx and cdxml files in python

    Python

  6. SMILES-RNN SMILES-RNN Public

    Forked from MorganCThomas/SMILES-RNN

    Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation

    Python

Repositories

Showing 7 of 7 repositories
  • smizip Public

    An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings

    SoseiHeptares/smizip’s past year of commit activity
    Python 9 MIT 3 5 4 Updated Oct 24, 2023
  • SMILES-RNN Public Forked from MorganCThomas/SMILES-RNN

    Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation

    SoseiHeptares/SMILES-RNN’s past year of commit activity
    Python 0 MIT 7 0 0 Updated Sep 27, 2023
  • presentations Public
    SoseiHeptares/presentations’s past year of commit activity
    3 0 0 0 Updated Sep 23, 2023
  • MolScore Public Forked from MorganCThomas/MolScore

    An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design

    SoseiHeptares/MolScore’s past year of commit activity
    Jupyter Notebook 0 MIT 20 0 0 Updated Mar 31, 2023
  • pycdxml Public Forked from kienerj/pycdxml

    Tools to automatically convert and proccess cdx and cdxml files in python

    SoseiHeptares/pycdxml’s past year of commit activity
    Python 0 GPL-3.0 5 0 0 Updated Nov 18, 2022
  • teachopencadd Public Forked from volkamerlab/teachopencadd

    TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

    SoseiHeptares/teachopencadd’s past year of commit activity
    Jupyter Notebook 0 CC-BY-4.0 199 0 0 Updated May 23, 2022
  • workflows Public Forked from 3D-e-Chem/workflows

    KNIME workflows developed in project using nodes developed in project.

    SoseiHeptares/workflows’s past year of commit activity
    0 Apache-2.0 6 0 0 Updated Apr 20, 2022

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