molecular-generation topic
List
molecular-generation repositories
genui
30
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12
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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.
MolGen
110
Stars
7
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[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
genui-gui
18
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7
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GenUI frontend application. It provides a GUI to the GenUI REST API web services.
FASMIFRA
47
Stars
8
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Molecular Generation by Fast Assembly of SMILES Fragments
lohi_splitter
51
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0
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Lo-Hi Splitter for Modern Splits of Molecular Datasets
hyfactor
18
Stars
8
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Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".