Thanks to visit codestin.com
Credit goes to github.com

Skip to content

marcin-cieslak/cret

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

3 Commits
 
 

Repository files navigation

CRET: Chemically Reasonable Tethering

CRET (Chemically Reasonable Tethering) is a unified computational framework for fragment linking in drug discovery. It automates the generation of chemically plausible linkers between molecular fragments, directly within a 3D binding pocket, while maintaining synthetic accessibility and fragment geometry.

The source code will be made publicly available upon formal publication of the associated manuscript.

A preprint describing the method is available here:

About

No description, website, or topics provided.

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published