Spaces:
Sleeping
Sleeping
Update inference_app.py
Browse files- inference_app.py +0 -11
inference_app.py
CHANGED
|
@@ -125,7 +125,6 @@ def run_docking(protein, ligand):
|
|
| 125 |
|
| 126 |
def predict (input_sequence, input_ligand,input_msa, input_protein):
|
| 127 |
start_time = time.time()
|
| 128 |
-
|
| 129 |
protonate_receptor_and_ligand(input_protein, input_ligand)
|
| 130 |
generate_conformers(input_protein, input_ligand)
|
| 131 |
cnn_score = run_docking(input_protein, input_ligand)
|
|
@@ -156,16 +155,6 @@ with gr.Blocks() as app:
|
|
| 156 |
|
| 157 |
btn = gr.Button("Run Inference")
|
| 158 |
|
| 159 |
-
gr.Examples(
|
| 160 |
-
[
|
| 161 |
-
[
|
| 162 |
-
"SVKSEYAEAAAVGQEAVAVFNTMKAAFQNGDKEAVAQYLARLASLYTRHEELLNRILEKARREGNKEAVTLMNEFTATFQTGKSIFNAMVAAFKNGDDDSFESYLQALEKVTAKGETLADQIAKAL:SVKSEYAEAAAVGQEAVAVFNTMKAAFQNGDKEAVAQYLARLASLYTRHEELLNRILEKARREGNKEAVTLMNEFTATFQTGKSIFNAMVAAFKNGDDDSFESYLQALEKVTAKGETLADQIAKAL",
|
| 163 |
-
"COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O",
|
| 164 |
-
"test_out.pdb"
|
| 165 |
-
],
|
| 166 |
-
],
|
| 167 |
-
[input_sequence, input_ligand, input_protein],
|
| 168 |
-
)
|
| 169 |
reps = [
|
| 170 |
{
|
| 171 |
"model": 0,
|
|
|
|
| 125 |
|
| 126 |
def predict (input_sequence, input_ligand,input_msa, input_protein):
|
| 127 |
start_time = time.time()
|
|
|
|
| 128 |
protonate_receptor_and_ligand(input_protein, input_ligand)
|
| 129 |
generate_conformers(input_protein, input_ligand)
|
| 130 |
cnn_score = run_docking(input_protein, input_ligand)
|
|
|
|
| 155 |
|
| 156 |
btn = gr.Button("Run Inference")
|
| 157 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 158 |
reps = [
|
| 159 |
{
|
| 160 |
"model": 0,
|