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  1. prop_gen prop_gen Public

    A novel hybrid method for generating molecules with desired property scores.

    Python 39 15

  2. GVAE4Smiles GVAE4Smiles Public

    Grammar Variational Autoencoder for Smiles.

    Jupyter Notebook 7 1

  3. reaction-balancer reaction-balancer Public

    Chemical reaction balancing web service

    Python 2

  4. jupyter_sbml_upload jupyter_sbml_upload Public

    Demonstration of uploaded multiple user SBML (or indeed any) files to a Jupyter notebook

    Jupyter Notebook 1

  5. icml18-jtnn icml18-jtnn Public

    Forked from wengong-jin/icml18-jtnn

    Python 1

  6. AE4Smiles AE4Smiles Public

    Simple autoencoder for smiles.

    Jupyter Notebook 1 1

Repositories

Showing 8 of 8 repositories
  • COVID Public

    Untargeted LC-MS data processing for COVID

    dbkgroup/COVID’s past year of commit activity
    R 0 MIT 0 0 0 Updated Dec 6, 2021
  • prop_gen Public

    A novel hybrid method for generating molecules with desired property scores.

    dbkgroup/prop_gen’s past year of commit activity
    Python 39 15 1 1 Updated Oct 26, 2021
  • posflux Public Forked from porld/posflux

    Metabolic modelling in positive flux space

    dbkgroup/posflux’s past year of commit activity
    Python 0 1 0 0 Updated Aug 5, 2019
  • AE4Smiles Public

    Simple autoencoder for smiles.

    dbkgroup/AE4Smiles’s past year of commit activity
    Jupyter Notebook 1 MIT 1 0 0 Updated May 16, 2019
  • GVAE4Smiles Public

    Grammar Variational Autoencoder for Smiles.

    dbkgroup/GVAE4Smiles’s past year of commit activity
    Jupyter Notebook 7 MIT 1 0 0 Updated May 15, 2019
  • icml18-jtnn Public Forked from wengong-jin/icml18-jtnn
    dbkgroup/icml18-jtnn’s past year of commit activity
    Python 1 MIT 190 0 0 Updated Oct 2, 2018
  • jupyter_sbml_upload Public

    Demonstration of uploaded multiple user SBML (or indeed any) files to a Jupyter notebook

    dbkgroup/jupyter_sbml_upload’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated Oct 2, 2017
  • reaction-balancer Public

    Chemical reaction balancing web service

    dbkgroup/reaction-balancer’s past year of commit activity
    Python 2 MIT 0 0 0 Updated Sep 13, 2017

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