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The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical space visualization.
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martin-sicho/genui
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The GenUI framework provides both API and GUI for molecular generators, QSAR modelling and chemical space visualization. This repository contains the implementation of the backend application used in the GenUI platform.
Molecular generators can be integratedas self-contained Python packages and their inputs, outputs and data storage canbe managed through various REST API endpoints implemented in thisrepository. It is possible to upload bioactivity datasets and also downloadthem from public sources. QSAR and generative models can be built from thisdata as well as 2D representations of chemical space. The GenUIweb frontend uses the RESTservices implemented here to allow simpler access to all these features.You can find out more about how to extendand use the GenUI Python API in thedocumentation.
You can also directly deploy and test existing open sourceGenUI ecosystem as Docker images(more detailshere).
If you have any questions, problems or feature requests, do not hesitate tocreate a GitHub issue. This application is still very much in development so weappreciate any feedback. We are also interested in collaborations to integratemore molecular generators in the platform so do not hesitate to contact usif you would like to contribute.
This software is distributed underMIT license
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The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical space visualization.