In this repository, RDKit-descriptors are used to predict the HOMO-LUMO energy gap of organic compounds. There is also a web app to predict HOMO-LUMO energy gap of new molecules. Use this link
-
Notifications
You must be signed in to change notification settings - Fork 8
gashawmg/RDKit-descriptors-for-HOMO-LUMO-energy-gap-prediction
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
No description, website, or topics provided.
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published