Spaces:
Paused
Paused
igashov commited on
Commit ·
865e932
1
Parent(s): 41efc4f
examples
Browse files
app.py
CHANGED
|
@@ -157,24 +157,23 @@ def generate(input_file):
|
|
| 157 |
demo = gr.Blocks()
|
| 158 |
with demo:
|
| 159 |
gr.Markdown('# DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design')
|
| 160 |
-
visualization = gr.Variable()
|
| 161 |
with gr.Box():
|
| 162 |
with gr.Row():
|
| 163 |
with gr.Column():
|
| 164 |
gr.Markdown('## Input Fragments')
|
| 165 |
gr.Markdown('Upload the file with 3D-coordinates of the input fragments in .pdb, .mol2 or .sdf format:')
|
| 166 |
input_file = gr.File(
|
| 167 |
-
|
| 168 |
file_count='single',
|
| 169 |
label='Input Fragments'
|
| 170 |
)
|
| 171 |
-
examples = gr.Examples(
|
| 172 |
-
|
| 173 |
-
|
| 174 |
-
|
| 175 |
-
|
| 176 |
-
|
| 177 |
-
)
|
| 178 |
button = gr.Button('Generate Linker!')
|
| 179 |
gr.Markdown('')
|
| 180 |
gr.Markdown('## Output Files')
|
|
|
|
| 157 |
demo = gr.Blocks()
|
| 158 |
with demo:
|
| 159 |
gr.Markdown('# DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design')
|
|
|
|
| 160 |
with gr.Box():
|
| 161 |
with gr.Row():
|
| 162 |
with gr.Column():
|
| 163 |
gr.Markdown('## Input Fragments')
|
| 164 |
gr.Markdown('Upload the file with 3D-coordinates of the input fragments in .pdb, .mol2 or .sdf format:')
|
| 165 |
input_file = gr.File(
|
| 166 |
+
value='examples/example_1.sdf',
|
| 167 |
file_count='single',
|
| 168 |
label='Input Fragments'
|
| 169 |
)
|
| 170 |
+
# examples = gr.Examples(
|
| 171 |
+
# examples=[['examples/example_1.sdf'], ['examples/example_2.sdf']],
|
| 172 |
+
# inputs=[input_file],
|
| 173 |
+
# outputs=[visualization],
|
| 174 |
+
# fn=show_input,
|
| 175 |
+
# run_on_click=True,
|
| 176 |
+
# )
|
| 177 |
button = gr.Button('Generate Linker!')
|
| 178 |
gr.Markdown('')
|
| 179 |
gr.Markdown('## Output Files')
|