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dbkgroup

dbkgroup

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Home Page:http://dbkgroup.org/

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dbkgroup's repositories

prop_gen

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

Language:PythonStargazers:38Issues:5Issues:1

GVAE4Smiles

Grammar Variational Autoencoder for Smiles.

Language:Jupyter NotebookLicense:MITStargazers:7Issues:5Issues:0

reaction-balancer

Chemical reaction balancing web service

Language:PythonLicense:MITStargazers:2Issues:2Issues:1

AE4Smiles

Simple autoencoder for smiles.

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icml18-jtnn

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jupyter_sbml_upload

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

Language:Jupyter NotebookLicense:MITStargazers:1Issues:3Issues:0

COVID

Untargeted LC-MS data processing for COVID

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posflux

Metabolic modelling in positive flux space

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