Work in Cambtridge
- Download the molport, merge, set protonation, filter with SMARTS
- Cluster into 2000 classes and generate new sdf
- Convert to methyl
#Dependency: conda python2.7 rdkit (boost==1.56)
-
Notifications
You must be signed in to change notification settings - Fork 0
MaolinWang/Cambridge
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
Work in Cambtridge
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published