Skip to content

A curated list of resources for machine learning for small-molecule drug discovery

License

Notifications You must be signed in to change notification settings

shiyx409/awesome-small-molecule-ml

 
 

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

31 Commits
 
 
 
 
 
 

Repository files navigation

Awesome Small Molecule Machine Learning Awesome

A curated list of awesome papers, data sets, frameworks, packages, blogs, and other resources related to machine learning for small-molecule drug discovery. Please contribute!

Contents

Papers

Survey papers and books

Representation, transfer learning, and few-shot learning

Generative algorithms

Hit finding and potency prediciton

ADME and toxicity prediction

Synthetic accessability and retrosynthetic planning

Visualization and interpretability

Data sets

Frameworks, Libraries, and Software Tools

Blogs

Twitter

Related lists

About

A curated list of resources for machine learning for small-molecule drug discovery

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published