Methods to prepare small-molecule datasets with 3D conformers for virtual screening or machine learning.
-
Notifications
You must be signed in to change notification settings - Fork 0
Methods to prepare small-molecule datasets with 3D conformers for machine learning or virtual screening.
License
martinvoegele/molecule_data_workflow
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
Methods to prepare small-molecule datasets with 3D conformers for machine learning or virtual screening.
Resources
License
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published