Script to perform reactions on molecules using RDKIT
Requirements:
- RDKIT, http://www.rdkit.org
pip install git+https://github.com/3D-e-Chem/rdkit-react.git
react --smarts reactions.smarts input.sd output.sd
-
Notifications
You must be signed in to change notification settings - Fork 1
Script to perform reactions on molecules using RDKIT
License
3D-e-Chem/rdkit-react
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
Script to perform reactions on molecules using RDKIT
Resources
License
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published