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GenUI: Interactive and Extensible Open Source Software Platform for De Novo Molecular Generation

08 June 2021, Version 2
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

This manuscript describes the development and architecture of the GenUI software platform for integration of molecular generators. The source code for the components of the platform is available in the following repositories:

https://github.com/martin-sicho/genui
https://github.com/martin-sicho/genui-gui
https://github.com/martin-sicho/genui-docker

Keywords

Graphical User Interface
De novo drug design
Molecule Generation
Deep Learning Applications
Web applications

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Version History

Jun 08, 2021 Version 2

Version Notes

Currently at version 7. Added missing ORCID, corrected hyperlinks and amended formatting of a few references.

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License

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BY
The content is available under CC BY 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.14685891.v2
D O I: 10.26434/chemrxiv.14685891.v2 [opens in a new tab]

Funding

Ministry of Education Youth and Sports
LM2018130
National Infrastructure for Chemical Biology
https://app.dimensions.ai/details/grant/grant.9391077 [opens in a new tab]

Author’s competing interest statement

The authors declare that they have no competing interests.

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