Assessment pipeline for conformer generation
python evaluate_confs.py --confs etkdg.pkl --test_csv data/test_smiles.csv --true_mols data/test_mols.pkl --n_workers 10
-
Notifications
You must be signed in to change notification settings - Fork 1
Assessment pipeline for conformer generation
License
yashpatel5400/conformer-assessment
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
Assessment pipeline for conformer generation
Resources
License
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published