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cheminformatics
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4 search results found
Pdn
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51
The official PyTorch implementation of "Pathfinder Discovery Networks for Neural Message Passing" (WebConf '21)
Genui
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19
The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical space visualization.
Genui Gui
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13
GenUI frontend application. It provides a GUI to the GenUI REST API web services.
Genui Docker
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5
A repository to build and deploy GenUI docker images. GenUI is a collection of web services for interactive molecular generation, QSAR modelling and chemical space visualization.
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