Spaces:
Runtime error
Runtime error
Update inference_app.py
Browse files- inference_app.py +6 -0
inference_app.py
CHANGED
|
@@ -27,6 +27,12 @@ from enspara import geometry
|
|
| 27 |
from sklearn.cluster import DBSCAN
|
| 28 |
import pandas as pd
|
| 29 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 30 |
def run_smina(
|
| 31 |
ligand_path, protein_path, out_path, pocket_center, pocket_size, num_poses=1, exhaustiveness=1
|
| 32 |
):
|
|
|
|
| 27 |
from sklearn.cluster import DBSCAN
|
| 28 |
import pandas as pd
|
| 29 |
|
| 30 |
+
os.system("pwd")
|
| 31 |
+
|
| 32 |
+
os.system("ls")
|
| 33 |
+
|
| 34 |
+
os.system("touch ligand.sdf")
|
| 35 |
+
|
| 36 |
def run_smina(
|
| 37 |
ligand_path, protein_path, out_path, pocket_center, pocket_size, num_poses=1, exhaustiveness=1
|
| 38 |
):
|