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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Updated
Sep 4, 2023 - Python
The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical space visualization.
Molecular Generation by Fast Assembly of SMILES Fragments
Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
GenUI frontend application. It provides a GUI to the GenUI REST API web services.
[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
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.
Deep Learning And Applied Artificial Intelligence Project 2019/2020 - Molecular Synthesis & Reconstruction
Code for the paper "FAME: Fragment-based Conditional Molecular Generation for Phenotypic Drug Discovery", published on SDM 2022.
mirror of Open Molecule Generator from https://git.code.sf.net/p/openmg/code
A curated list of awesome Molecular Modeling And Drug Discovery 🔥
Lo-Hi Splitter for Modern Splits of Molecular Datasets
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