mirror of Open Molecule Generator from https://git.code.sf.net/p/openmg/code
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Updated
Jun 15, 2020 - C
mirror of Open Molecule Generator from https://git.code.sf.net/p/openmg/code
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.
A curated list of awesome Molecular Modeling And Drug Discovery 🔥
Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical space visualization.
GenUI frontend application. It provides a GUI to the GenUI REST API web services.
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.
Lo-Hi Splitter for Modern Splits of Molecular Datasets
Molecular Generation by Fast Assembly of SMILES Fragments
[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
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