GitHub topics: molecular-generation
zjunlp/MolGen
[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
Language: Python - Size: 16.4 MB - Last synced at: 16 days ago - Pushed at: 4 months ago - Stars: 155 - Forks: 13
brsynth/molecule-signature-paper
Code supporting the paper 'Getting Molecules from their Fingerprints: Generative Models vs. Deterministic Enumeration'
Language: Python - Size: 287 KB - Last synced at: 9 days ago - Pushed at: about 2 months ago - Stars: 0 - Forks: 0
wudangt/awesome-molecular-modeling-and-drug-discovery
A curated list of awesome Molecular Modeling And Drug Discovery 🔥
Size: 51.8 KB - Last synced at: 6 days ago - Pushed at: almost 3 years ago - Stars: 11 - Forks: 0
UnixJunkie/FASMIFRA
Molecular Generation by Fast Assembly of SMILES Fragments
Language: OCaml - Size: 1.71 MB - Last synced at: 6 months ago - Pushed at: 7 months ago - Stars: 50 - Forks: 8
SteshinSS/lohi_splitter
Lo-Hi Splitter for Modern Splits of Molecular Datasets
Language: Jupyter Notebook - Size: 639 KB - Last synced at: 8 months ago - Pushed at: over 1 year ago - Stars: 53 - Forks: 0
martin-sicho/genui-docker
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.
Language: Shell - Size: 20.8 MB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 7 - Forks: 7
martin-sicho/genui
The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical space visualization.
Language: Python - Size: 48.5 MB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 30 - Forks: 12
martin-sicho/genui-gui
GenUI frontend application. It provides a GUI to the GenUI REST API web services.
Language: JavaScript - Size: 24.5 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 15 - Forks: 5
Laboratoire-de-Chemoinformatique/hyfactor
Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
Language: Python - Size: 1.38 MB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 12 - Forks: 8
AIMedLab/FAME
Code for the paper "FAME: Fragment-based Conditional Molecular Generation for Phenotypic Drug Discovery", published on SDM 2022.
Language: Python - Size: 136 KB - Last synced at: about 2 years ago - Pushed at: about 3 years ago - Stars: 4 - Forks: 2
UnixJunkie/OMG
mirror of Open Molecule Generator from https://git.code.sf.net/p/openmg/code
Language: C - Size: 23.7 MB - Last synced at: 7 days ago - Pushed at: almost 5 years ago - Stars: 5 - Forks: 1