Use HTML sections for Space layout so custom styling applies
Browse files- __pycache__/app.cpython-310.pyc +0 -0
- app.py +26 -44
__pycache__/app.cpython-310.pyc
CHANGED
|
Binary files a/__pycache__/app.cpython-310.pyc and b/__pycache__/app.cpython-310.pyc differ
|
|
|
app.py
CHANGED
|
@@ -705,7 +705,7 @@ def load_example(example_name: str):
|
|
| 705 |
|
| 706 |
|
| 707 |
with gr.Blocks(title="BioAssayAlign Compatibility Explorer", analytics_enabled=False, css=CSS, theme=THEME) as demo:
|
| 708 |
-
gr.
|
| 709 |
"""
|
| 710 |
<div id="hero">
|
| 711 |
<div class="hero-grid">
|
|
@@ -732,7 +732,7 @@ with gr.Blocks(title="BioAssayAlign Compatibility Explorer", analytics_enabled=F
|
|
| 732 |
|
| 733 |
with gr.Row():
|
| 734 |
with gr.Column(scale=5):
|
| 735 |
-
gr.
|
| 736 |
"""
|
| 737 |
<div class="panel-note">
|
| 738 |
Use structured assay fields when possible. Missing fields are allowed, but species, readout, format, and target metadata usually improve ranking quality.
|
|
@@ -740,7 +740,7 @@ Use structured assay fields when possible. Missing fields are allowed, but speci
|
|
| 740 |
"""
|
| 741 |
)
|
| 742 |
with gr.Column(scale=4):
|
| 743 |
-
gr.
|
| 744 |
f"""
|
| 745 |
<div class="metric-strip">
|
| 746 |
<div class="metric-card"><span>Default model</span><strong>{MODEL_REPO_ID}</strong></div>
|
|
@@ -750,7 +750,7 @@ Use structured assay fields when possible. Missing fields are allowed, but speci
|
|
| 750 |
"""
|
| 751 |
)
|
| 752 |
|
| 753 |
-
gr.
|
| 754 |
"""
|
| 755 |
<div class="guide-grid">
|
| 756 |
<div class="guide-card"><strong>1. Describe the assay</strong>Use normal lab language. Add UniProt, readout, format, and organism when known.</div>
|
|
@@ -763,7 +763,7 @@ Use structured assay fields when possible. Missing fields are allowed, but speci
|
|
| 763 |
with gr.Tab("Rank Compounds"):
|
| 764 |
with gr.Row(elem_classes="workspace"):
|
| 765 |
with gr.Column(scale=6, elem_classes="pane"):
|
| 766 |
-
gr.
|
| 767 |
"""
|
| 768 |
<div class="pane-header">
|
| 769 |
<div>
|
|
@@ -780,7 +780,7 @@ Use structured assay fields when possible. Missing fields are allowed, but speci
|
|
| 780 |
"""
|
| 781 |
)
|
| 782 |
example_name = gr.Dropdown(choices=list(EXAMPLES.keys()), value="JAK2 cell assay", label="Live example")
|
| 783 |
-
gr.
|
| 784 |
load_example_btn = gr.Button("Load live example", variant="secondary")
|
| 785 |
assay_title = gr.Textbox(label="Assay title")
|
| 786 |
description = gr.Textbox(label="Description", lines=6, placeholder="Describe the assay in practical lab language.")
|
|
@@ -793,7 +793,7 @@ Use structured assay fields when possible. Missing fields are allowed, but speci
|
|
| 793 |
target_uniprot = gr.Textbox(label="Target UniProt IDs", placeholder="Q06187, P52333")
|
| 794 |
|
| 795 |
with gr.Column(scale=5, elem_classes="pane"):
|
| 796 |
-
gr.
|
| 797 |
"""
|
| 798 |
<div class="pane-header">
|
| 799 |
<div>
|
|
@@ -811,12 +811,12 @@ Use structured assay fields when possible. Missing fields are allowed, but speci
|
|
| 811 |
)
|
| 812 |
upload_file = gr.File(label="Upload CSV / TXT / SMI", file_count="single", file_types=[".csv", ".txt", ".smi", ".smiles"])
|
| 813 |
top_k = gr.Slider(label="Top-K rows to display", minimum=5, maximum=200, step=5, value=DEFAULT_TOP_K)
|
| 814 |
-
gr.
|
| 815 |
with gr.Row(elem_classes="action-row"):
|
| 816 |
run_btn = gr.Button("Run ranking", variant="primary")
|
| 817 |
clear_btn = gr.ClearButton(value="Clear inputs", components=[assay_title, description, organism, readout, assay_format, assay_type, target_uniprot, smiles_text, upload_file])
|
| 818 |
|
| 819 |
-
gr.
|
| 820 |
"""
|
| 821 |
<div class="summary-shell">
|
| 822 |
<div class="pane-header">
|
|
@@ -852,42 +852,24 @@ Use structured assay fields when possible. Missing fields are allowed, but speci
|
|
| 852 |
)
|
| 853 |
|
| 854 |
with gr.Tab("How To Use This"):
|
| 855 |
-
gr.
|
| 856 |
"""
|
| 857 |
-
|
| 858 |
-
|
| 859 |
-
|
| 860 |
-
|
| 861 |
-
|
| 862 |
-
|
| 863 |
-
|
| 864 |
-
|
| 865 |
-
|
| 866 |
-
-
|
| 867 |
-
|
| 868 |
-
|
| 869 |
-
-
|
| 870 |
-
|
| 871 |
-
|
| 872 |
-
|
| 873 |
-
- If you need a normalized shortlist view, treat the model score as a list-relative ranking signal and rescale within your submitted list.
|
| 874 |
-
- **mol_wt / logp / tpsa** are quick chemistry context columns so you can sanity-check what the model surfaced.
|
| 875 |
-
|
| 876 |
-
### Good input habits
|
| 877 |
-
|
| 878 |
-
- Prefer parent, neutralized, chemically sensible SMILES.
|
| 879 |
-
- Keep assay descriptions concrete.
|
| 880 |
-
- If the assay is target-defined, add the UniProt ID.
|
| 881 |
-
- If you upload a CSV, use one SMILES per row in a column named `smiles` or `canonical_smiles`.
|
| 882 |
-
|
| 883 |
-
### What this Space is not
|
| 884 |
-
|
| 885 |
-
- not a generative chemistry tool
|
| 886 |
-
- not a medicinal chemistry oracle
|
| 887 |
-
- not a wet-lab substitute
|
| 888 |
-
|
| 889 |
-
<div class="footer-note">
|
| 890 |
-
This interface is tuned for clarity over breadth. If you need a larger ranking workflow, use the downloadable CSV as the handoff into your own screening or modeling pipeline.
|
| 891 |
</div>
|
| 892 |
"""
|
| 893 |
)
|
|
|
|
| 705 |
|
| 706 |
|
| 707 |
with gr.Blocks(title="BioAssayAlign Compatibility Explorer", analytics_enabled=False, css=CSS, theme=THEME) as demo:
|
| 708 |
+
gr.HTML(
|
| 709 |
"""
|
| 710 |
<div id="hero">
|
| 711 |
<div class="hero-grid">
|
|
|
|
| 732 |
|
| 733 |
with gr.Row():
|
| 734 |
with gr.Column(scale=5):
|
| 735 |
+
gr.HTML(
|
| 736 |
"""
|
| 737 |
<div class="panel-note">
|
| 738 |
Use structured assay fields when possible. Missing fields are allowed, but species, readout, format, and target metadata usually improve ranking quality.
|
|
|
|
| 740 |
"""
|
| 741 |
)
|
| 742 |
with gr.Column(scale=4):
|
| 743 |
+
gr.HTML(
|
| 744 |
f"""
|
| 745 |
<div class="metric-strip">
|
| 746 |
<div class="metric-card"><span>Default model</span><strong>{MODEL_REPO_ID}</strong></div>
|
|
|
|
| 750 |
"""
|
| 751 |
)
|
| 752 |
|
| 753 |
+
gr.HTML(
|
| 754 |
"""
|
| 755 |
<div class="guide-grid">
|
| 756 |
<div class="guide-card"><strong>1. Describe the assay</strong>Use normal lab language. Add UniProt, readout, format, and organism when known.</div>
|
|
|
|
| 763 |
with gr.Tab("Rank Compounds"):
|
| 764 |
with gr.Row(elem_classes="workspace"):
|
| 765 |
with gr.Column(scale=6, elem_classes="pane"):
|
| 766 |
+
gr.HTML(
|
| 767 |
"""
|
| 768 |
<div class="pane-header">
|
| 769 |
<div>
|
|
|
|
| 780 |
"""
|
| 781 |
)
|
| 782 |
example_name = gr.Dropdown(choices=list(EXAMPLES.keys()), value="JAK2 cell assay", label="Live example")
|
| 783 |
+
gr.HTML("<div class='examples-note'>Examples run against the live model. They are not screenshots or mocked outputs.</div>")
|
| 784 |
load_example_btn = gr.Button("Load live example", variant="secondary")
|
| 785 |
assay_title = gr.Textbox(label="Assay title")
|
| 786 |
description = gr.Textbox(label="Description", lines=6, placeholder="Describe the assay in practical lab language.")
|
|
|
|
| 793 |
target_uniprot = gr.Textbox(label="Target UniProt IDs", placeholder="Q06187, P52333")
|
| 794 |
|
| 795 |
with gr.Column(scale=5, elem_classes="pane"):
|
| 796 |
+
gr.HTML(
|
| 797 |
"""
|
| 798 |
<div class="pane-header">
|
| 799 |
<div>
|
|
|
|
| 811 |
)
|
| 812 |
upload_file = gr.File(label="Upload CSV / TXT / SMI", file_count="single", file_types=[".csv", ".txt", ".smi", ".smiles"])
|
| 813 |
top_k = gr.Slider(label="Top-K rows to display", minimum=5, maximum=200, step=5, value=DEFAULT_TOP_K)
|
| 814 |
+
gr.HTML("<div class='section-note'>Tip: prefer parent or neutralized molecules, one SMILES per row, and avoid obvious salts or malformed fragments.</div>")
|
| 815 |
with gr.Row(elem_classes="action-row"):
|
| 816 |
run_btn = gr.Button("Run ranking", variant="primary")
|
| 817 |
clear_btn = gr.ClearButton(value="Clear inputs", components=[assay_title, description, organism, readout, assay_format, assay_type, target_uniprot, smiles_text, upload_file])
|
| 818 |
|
| 819 |
+
gr.HTML(
|
| 820 |
"""
|
| 821 |
<div class="summary-shell">
|
| 822 |
<div class="pane-header">
|
|
|
|
| 852 |
)
|
| 853 |
|
| 854 |
with gr.Tab("How To Use This"):
|
| 855 |
+
gr.HTML(
|
| 856 |
"""
|
| 857 |
+
<div class="summary-shell">
|
| 858 |
+
<div class="pane-header">
|
| 859 |
+
<div>
|
| 860 |
+
<div class="pane-kicker">Practical guidance</div>
|
| 861 |
+
<div class="pane-title">How to use this interface well</div>
|
| 862 |
+
</div>
|
| 863 |
+
</div>
|
| 864 |
+
<div class="explain-grid">
|
| 865 |
+
<div class="explain-card"><strong>Write the assay like a scientist</strong>Use concrete descriptions, not keywords alone. If the assay is target-defined, add UniProt.</div>
|
| 866 |
+
<div class="explain-card"><strong>Use clean candidate input</strong>Prefer parent or neutralized molecules. Upload a CSV with a <code>smiles</code> column if you have a larger list.</div>
|
| 867 |
+
<div class="explain-card"><strong>Interpret results as triage</strong>Use priority and relative score first. Treat the raw model score as an internal ranking value, not a probability.</div>
|
| 868 |
+
</div>
|
| 869 |
+
<div class="footer-note" style="margin-top: 1rem;">
|
| 870 |
+
This Space is tuned for shortlist ranking. It is not a generative chemistry tool, not a medicinal chemistry oracle, and not a wet-lab substitute.
|
| 871 |
+
If you need a larger workflow, export the CSV and pass the ranked list into your own screening pipeline.
|
| 872 |
+
</div>
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 873 |
</div>
|
| 874 |
"""
|
| 875 |
)
|