Update app.py
Browse files
app.py
CHANGED
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@@ -9,6 +9,8 @@ from io import BytesIO
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from PIL import Image
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from datetime import datetime
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from pathlib import Path
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# ========== Діагностичний друк ==========
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print("Gradio version:", gr.__version__)
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@@ -43,13 +45,25 @@ def load_journal():
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try:
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if not LOG_PATH.exists():
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return pd.DataFrame(columns=["timestamp","tab","inputs","result","note"])
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except Exception:
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return
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def save_note(note, tab
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log_entry(tab, "",
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return
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# ========== БАЗИ ДАНИХ ==========
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MIRNA_DB = {
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@@ -152,7 +166,65 @@ PROTEINS = ["albumin","apolipoprotein","fibrinogen","vitronectin",
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"clusterin","igm","iga","igg","complement","transferrin",
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"alpha-2-macroglobulin"]
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#
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def predict_mirna(gene):
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df = pd.DataFrame(MIRNA_DB.get(gene, []))
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log_entry("S1-B · R1a · miRNA", gene, f"{len(df)} miRNAs")
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return pd.DataFrame(ASO)
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def predict_drug(pocket):
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def predict_variant(hgvs, sift, polyphen, gnomad):
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hgvs = hgvs.strip()
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def predict_corona(size, zeta, peg, lipid):
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def predict_cancer(c1,c2,c3,c4,c5,c6,c7,c8,c9,c10):
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def predict_flow(size, zeta, peg, charge, flow_rate):
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def predict_bbb(smiles, pka, zeta):
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def extract_corona(text):
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{"Variant":"H3K27M (H3F3A)","Freq_pct":78,"Pathway":"PRC2 inhibition → global H3K27me3 loss","Drug_status":"ONC201 (clinical)","Circadian_gene":"BMAL1 suppressed"},
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{"Variant":"ACVR1 p.R206H","Freq_pct":21,"Pathway":"BMP/SMAD hyperactivation","Drug_status":"LDN-193189 (preclinical)","Circadian_gene":"PER1 disrupted"},
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{"Variant":"PIK3CA p.H1047R","Freq_pct":15,"Pathway":"PI3K/AKT/mTOR","Drug_status":"Copanlisib (clinical)","Circadian_gene":"CRY1 altered"},
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{"Variant":"TP53 p.R248W","Freq_pct":14,"Pathway":"DNA damage response loss","Drug_status":"APR-246 (clinical)","Circadian_gene":"p53-CLOCK axis"},
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{"Variant":"PDGFRA amp","Freq_pct":13,"Pathway":"RTK/RAS signalling","Drug_status":"Avapritinib (clinical)","Circadian_gene":"REV-ERB altered"},
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]
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DIPG_CSF_LNP = [
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{"Formulation":"MC3-DSPC-Chol-PEG","Size_nm":92,"Zeta_mV":-4.1,"CSF_protein":"Beta2-microglobulin","ApoE_pct":12.4,"BBB_est":0.41,"Priority":"HIGH"},
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{"Formulation":"DLin-KC2-DSPE-PEG","Size_nm":87,"Zeta_mV":-3.8,"CSF_protein":"Cystatin C","ApoE_pct":14.1,"BBB_est":0.47,"Priority":"HIGH"},
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{"Formulation":"C12-200-DOPE-PEG","Size_nm":103,"Zeta_mV":-5.2,"CSF_protein":"Albumin (low)","ApoE_pct":9.8,"BBB_est":0.33,"Priority":"MEDIUM"},
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{"Formulation":"DODAP-DSPC-Chol","Size_nm":118,"Zeta_mV":-2.1,"CSF_protein":"Transferrin","ApoE_pct":7.2,"BBB_est":0.24,"Priority":"LOW"},
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]
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UVM_VARIANTS = [
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{"Variant":"GNAQ p.Q209L","Freq_pct":46,"Pathway":"PLCβ → PKC → MAPK","Drug_status":"Darovasertib (clinical)","m6A_writer":"METTL3 upregulated"},
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{"Variant":"GNA11 p.Q209L","Freq_pct":32,"Pathway":"PLCβ → PKC → MAPK","Drug_status":"Darovasertib (clinical)","m6A_writer":"WTAP upregulated"},
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{"Variant":"BAP1 loss","Freq_pct":47,"Pathway":"Chromatin remodeling → metastasis","Drug_status":"No approved (HDAC trials)","m6A_writer":"FTO overexpressed"},
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{"Variant":"SF3B1 p.R625H","Freq_pct":19,"Pathway":"Splicing alteration → neoepitopes","Drug_status":"H3B-8800 (clinical)","m6A_writer":"METTL14 altered"},
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{"Variant":"EIF1AX p.A113_splice","Freq_pct":14,"Pathway":"Translation initiation","Drug_status":"Novel — no drug","m6A_writer":"YTHDF2 suppressed"},
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]
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UVM_VITREOUS_LNP = [
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{"Formulation":"SM-102-DSPC-Chol-PEG","Vitreal_protein":"Hyaluronan-binding","Size_nm":95,"Zeta_mV":-3.2,"Retention_h":18,"Priority":"HIGH"},
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{"Formulation":"Lipid-H-DOPE-PEG","Vitreal_protein":"Vitronectin dominant","Size_nm":88,"Zeta_mV":-4.0,"Retention_h":22,"Priority":"HIGH"},
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{"Formulation":"DOTAP-DSPC-PEG","Vitreal_protein":"Albumin wash-out","Size_nm":112,"Zeta_mV":+2.1,"Retention_h":6,"Priority":"LOW"},
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{"Formulation":"MC3-DPPC-Chol","Vitreal_protein":"Clusterin-rich","Size_nm":101,"Zeta_mV":-2.8,"Retention_h":14,"Priority":"MEDIUM"},
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]
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PAML_VARIANTS = [
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{"Variant":"FLT3-ITD","Freq_pct":25,"Pathway":"RTK constitutive activation → JAK/STAT","Drug_status":"Midostaurin (approved)","Ferroptosis":"GPX4 suppressed"},
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{"Variant":"NPM1 c.860_863dupTCAG","Freq_pct":30,"Pathway":"Nuclear export deregulation","Drug_status":"APR-548 combo (clinical)","Ferroptosis":"SLC7A11 upregulated"},
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{"Variant":"DNMT3A p.R882H","Freq_pct":18,"Pathway":"Epigenetic dysregulation","Drug_status":"Azacitidine (approved)","Ferroptosis":"ACSL4 altered"},
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{"Variant":"CEBPA biallelic","Freq_pct":8,"Pathway":"Myeloid differentiation block","Drug_status":"Novel target","Ferroptosis":"NRF2 pathway"},
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{"Variant":"IDH1/2 mutation","Freq_pct":15,"Pathway":"2-HG oncometabolite → TET2 inhibition","Drug_status":"Enasidenib (approved)","Ferroptosis":"Iron metabolism disrupted"},
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]
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PAML_BM_LNP = [
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{"Formulation":"ALC-0315-DSPC-Chol-PEG","BM_protein":"ApoE + Clusterin","Size_nm":98,"Zeta_mV":-3.5,"Marrow_uptake_pct":34,"Priority":"HIGH"},
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{"Formulation":"MC3-DOPE-Chol-PEG","BM_protein":"Fibronectin dominant","Size_nm":105,"Zeta_mV":-4.2,"Marrow_uptake_pct":28,"Priority":"HIGH"},
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{"Formulation":"DLin-MC3-DPPC","BM_protein":"Vitronectin-rich","Size_nm":91,"Zeta_mV":-2.9,"Marrow_uptake_pct":19,"Priority":"MEDIUM"},
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{"Formulation":"Cationic-DOTAP-Chol","BM_protein":"Opsonin-heavy","Size_nm":132,"Zeta_mV":+8.1,"Marrow_uptake_pct":8,"Priority":"LOW"},
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]
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def dipg_variants(sort_by):
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df = pd.DataFrame(DIPG_VARIANTS).sort_values(
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return df
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def dipg_csf(peg, size):
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def uvm_variants():
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df = pd.DataFrame(UVM_VARIANTS)
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return df
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def uvm_vitreous():
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def paml_ferroptosis(variant):
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# ========== ДОПОМІЖНІ ФУНКЦІЇ ==========
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def section_header(code, name, tagline, projects_html):
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f"</div>"
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# ========== CSS ==========
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css = f"""
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body, .gradio-container {{ background: {BG} !important; color: {TXT} !important; }}
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with gr.TabItem("🗺️ Lab Map"):
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gr.HTML(MAP_HTML)
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# ===
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with gr.TabItem("S1-A · R1a · OpenVariant"):
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gr.HTML(proj_badge("S1-A · R1a", "OpenVariant — SNV Pathogenicity Classifier", "AUC = 0.939"))
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hgvs = gr.Textbox(label="HGVS notation", placeholder="BRCA1:p.R1699Q")
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["BRCA2:p.D2723A",0.01,0.98,0.0]], inputs=[hgvs,sift,pp,gn], cache_examples=False)
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b_v.click(predict_variant, [hgvs,sift,pp,gn], o_v)
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# === ВСІ ІНШІ ВКЛАДКИ ЗАКОМЕНТОВАНІ ===
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# Розкоментуйте блок цілком, щоб перевірити, чи викликає помилку
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# =============================================================================
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# === START: S1-A · R1b · Somatic Classifier 🔶 ===============================
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# =============================================================================
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with gr.TabItem("S1-A · R1b · Somatic Classifier 🔶"):
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gr.HTML(proj_badge("S1-A · R1b", "Somatic Mutation Classifier", "🔶 In progress"))
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gr.Markdown("> This module is in active development. Coming in the next release.")
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# =============================================================================
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# === END: S1-A · R1b =========================================================
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# =============================================================================
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# ======
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# === START: S1-B · R1a · BRCA2 miRNA ========================================
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# =============================================================================
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with gr.TabItem("S1-B · R1a · BRCA2 miRNA"):
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gr.HTML(proj_badge("S1-B · R1a", "miRNA Silencing — BRCA1/2 · TP53"))
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g1 = gr.Dropdown(["BRCA2","BRCA1","TP53"], value="BRCA2", label="Gene")
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o1 = gr.Dataframe(label="Top 5 downregulated miRNAs")
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gr.Examples([["BRCA2"],["BRCA1"],["TP53"]], inputs=[g1])
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b1.click(predict_mirna, [g1], o1)
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# =============================================================================
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# === END: S1-B · R1a =========================================================
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# =============================================================================
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# =============================================================================
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# === START: S1-B · R2a · TP53 siRNA =========================================
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# =============================================================================
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with gr.TabItem("S1-B · R2a · TP53 siRNA"):
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gr.HTML(proj_badge("S1-B · R2a", "siRNA Synthetic Lethal — TP53-null"))
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g2 = gr.Dropdown(["LUAD","BRCA","COAD"], value="LUAD", label="Cancer type")
|
|
@@ -602,73 +720,40 @@ with gr.Blocks(css=css, title="K R&D Lab · S1 Biomedical") as demo:
|
|
| 602 |
o2 = gr.Dataframe(label="Top 5 synthetic lethal targets")
|
| 603 |
gr.Examples([["LUAD"],["BRCA"],["COAD"]], inputs=[g2], cache_examples=False)
|
| 604 |
b2.click(predict_sirna, [g2], o2)
|
| 605 |
-
# =============================================================================
|
| 606 |
-
# === END: S1-B · R2a =========================================================
|
| 607 |
-
# =============================================================================
|
| 608 |
|
| 609 |
-
# =============================================================================
|
| 610 |
-
# === START: S1-B · R3a · lncRNA-TREM2 =======================================
|
| 611 |
-
# =============================================================================
|
| 612 |
with gr.TabItem("S1-B · R3a · lncRNA-TREM2"):
|
| 613 |
gr.HTML(proj_badge("S1-B · R3a", "lncRNA-TREM2 ceRNA Network"))
|
| 614 |
b3 = gr.Button("Load Network", variant="primary")
|
| 615 |
o3 = gr.Dataframe(label="ceRNA Network")
|
| 616 |
b3.click(get_lncrna, [], o3)
|
| 617 |
-
# =============================================================================
|
| 618 |
-
# === END: S1-B · R3a =========================================================
|
| 619 |
-
# =============================================================================
|
| 620 |
|
| 621 |
-
# =============================================================================
|
| 622 |
-
# === START: S1-B · R3b · ASO Designer =======================================
|
| 623 |
-
# =============================================================================
|
| 624 |
with gr.TabItem("S1-B · R3b · ASO Designer"):
|
| 625 |
gr.HTML(proj_badge("S1-B · R3b", "ASO Candidates"))
|
| 626 |
b4 = gr.Button("Show ASOs", variant="primary")
|
| 627 |
o4 = gr.Dataframe(label="ASO Candidates")
|
| 628 |
b4.click(get_aso, [], o4)
|
| 629 |
-
|
| 630 |
-
# ===
|
| 631 |
-
#
|
| 632 |
-
|
| 633 |
-
|
| 634 |
-
|
| 635 |
-
|
| 636 |
-
|
| 637 |
-
|
| 638 |
-
|
| 639 |
-
|
| 640 |
-
|
| 641 |
-
|
| 642 |
-
# o4p = gr.Image(label="Binding scores")
|
| 643 |
-
# gr.Examples([["P1 (hairpin loop)"],["P10 (G-quadruplex)"]], inputs=[g4])
|
| 644 |
-
# b4.click(predict_drug, [g4], [o4t, o4p])
|
| 645 |
-
# =============================================================================
|
| 646 |
-
# === END: S1-C · R1a =========================================================
|
| 647 |
-
# =============================================================================
|
| 648 |
-
|
| 649 |
-
# =============================================================================
|
| 650 |
-
# === START: S1-C · R1b · SL Drug Mapping 🔶 =================================
|
| 651 |
-
# =============================================================================
|
| 652 |
with gr.TabItem("S1-C · R1b · SL Drug Mapping 🔶"):
|
| 653 |
gr.HTML(proj_badge("S1-C · R1b", "Synthetic Lethal Drug Mapping", "🔶 In progress"))
|
| 654 |
gr.Markdown("> Coming soon.")
|
| 655 |
-
# =============================================================================
|
| 656 |
-
# === END: S1-C · R1b =========================================================
|
| 657 |
-
# =============================================================================
|
| 658 |
|
| 659 |
-
# =============================================================================
|
| 660 |
-
# === START: S1-C · R2a · Frontier 🔴 ========================================
|
| 661 |
-
# =============================================================================
|
| 662 |
with gr.TabItem("S1-C · R2a · Frontier 🔴"):
|
| 663 |
gr.HTML(proj_badge("S1-C · R2a", "m6A × Ferroptosis × Circadian", "🔴 Frontier"))
|
| 664 |
gr.Markdown("> Planned for Q3 2026")
|
| 665 |
-
# =============================================================================
|
| 666 |
-
# === END: S1-C · R2a =========================================================
|
| 667 |
-
# =============================================================================
|
| 668 |
|
| 669 |
-
# ======
|
| 670 |
-
# === START: S1-D · R1a · LNP Corona =========================================
|
| 671 |
-
# =============================================================================
|
| 672 |
with gr.TabItem("S1-D · R1a · LNP Corona"):
|
| 673 |
gr.HTML(proj_badge("S1-D · R1a", "LNP Protein Corona (Serum)", "AUC = 0.791"))
|
| 674 |
with gr.Row():
|
|
@@ -681,183 +766,167 @@ with gr.Blocks(css=css, title="K R&D Lab · S1 Biomedical") as demo:
|
|
| 681 |
o6 = gr.Markdown()
|
| 682 |
gr.Examples([[100,-5,1.5,"Ionizable"],[80,5,0.5,"Cationic"]], inputs=[sz,zt,pg,lp])
|
| 683 |
b6.click(predict_corona, [sz,zt,pg,lp], o6)
|
| 684 |
-
|
| 685 |
-
#
|
| 686 |
-
|
| 687 |
-
|
| 688 |
-
|
| 689 |
-
|
| 690 |
-
|
| 691 |
-
|
| 692 |
-
|
| 693 |
-
|
| 694 |
-
|
| 695 |
-
|
| 696 |
-
|
| 697 |
-
|
| 698 |
-
|
| 699 |
-
|
| 700 |
-
|
| 701 |
-
#
|
| 702 |
-
|
| 703 |
-
|
| 704 |
-
|
| 705 |
-
|
| 706 |
-
|
| 707 |
-
|
| 708 |
-
|
| 709 |
-
|
| 710 |
-
|
| 711 |
-
|
| 712 |
-
|
| 713 |
-
|
| 714 |
-
|
| 715 |
-
#
|
| 716 |
-
|
| 717 |
-
|
| 718 |
-
|
| 719 |
-
|
| 720 |
-
|
| 721 |
-
|
| 722 |
-
|
| 723 |
-
|
| 724 |
-
|
| 725 |
-
|
| 726 |
-
|
| 727 |
-
|
| 728 |
-
|
| 729 |
-
# with gr.TabItem("S1-D · R4a · AutoCorona NLP"):
|
| 730 |
-
# gr.HTML(proj_badge("S1-D · R4a", "AutoCorona NLP — from abstracts", "F1 = 0.71"))
|
| 731 |
-
# txt = gr.Textbox(lines=5,label="Paper abstract",placeholder="Paste abstract here...")
|
| 732 |
-
# b10 = gr.Button("Extract Data", variant="primary")
|
| 733 |
-
# o10j = gr.Code(label="Extracted JSON", language="json")
|
| 734 |
-
# o10f = gr.Textbox(label="Validation flags")
|
| 735 |
-
# gr.Examples([[
|
| 736 |
-
# "LNPs composed of MC3, DSPC, Cholesterol (50:10:40 mol%) with 1.5% PEG-DMG. "
|
| 737 |
-
# "Hydrodynamic diameter was 98 nm, zeta potential -3.2 mV, PDI 0.12. "
|
| 738 |
-
# "Incubated in human plasma. Corona: albumin, apolipoprotein E, fibrinogen."
|
| 739 |
-
# ]], inputs=[txt])
|
| 740 |
-
# b10.click(extract_corona, txt, [o10j, o10f])
|
| 741 |
-
# =============================================================================
|
| 742 |
-
# === END: S1-D · R4a =========================================================
|
| 743 |
-
# =============================================================================
|
| 744 |
-
|
| 745 |
-
# =============================================================================
|
| 746 |
-
# === START: S1-D · R5a · CSF/BM 🔴 ==========================================
|
| 747 |
-
# =============================================================================
|
| 748 |
with gr.TabItem("S1-D · R5a · CSF/BM 🔴"):
|
| 749 |
gr.HTML(proj_badge("S1-D · R5a", "LNP Corona in CSF · Vitreous · Bone Marrow", "🔴 0 prior studies"))
|
| 750 |
gr.Markdown("> Planned for Q2–Q3 2026")
|
| 751 |
-
|
| 752 |
-
# ===
|
| 753 |
-
#
|
| 754 |
-
|
| 755 |
-
|
| 756 |
-
|
| 757 |
-
|
| 758 |
-
|
| 759 |
-
|
| 760 |
-
|
| 761 |
-
|
| 762 |
-
|
| 763 |
-
|
| 764 |
-
|
| 765 |
-
|
| 766 |
-
|
| 767 |
-
|
| 768 |
-
|
| 769 |
-
|
| 770 |
-
|
| 771 |
-
|
| 772 |
-
|
| 773 |
-
|
| 774 |
-
|
| 775 |
-
# inputs=[p1,p2,p3,p4,p5,p6,p7,p8,p9,p10])
|
| 776 |
-
# b7.click(predict_cancer, [p1,p2,p3,p4,p5,p6,p7,p8,p9,p10], [o7t,o7p])
|
| 777 |
-
# =============================================================================
|
| 778 |
-
# === END: S1-E · R1a =========================================================
|
| 779 |
-
# =============================================================================
|
| 780 |
-
|
| 781 |
-
# =============================================================================
|
| 782 |
-
# === START: S1-E · R1b · Validator 🔶 =======================================
|
| 783 |
-
# =============================================================================
|
| 784 |
with gr.TabItem("S1-E · R1b · Validator 🔶"):
|
| 785 |
gr.HTML(proj_badge("S1-E · R1b", "Protein Panel Validator", "🔶 In progress"))
|
| 786 |
gr.Markdown("> Coming next.")
|
| 787 |
-
|
| 788 |
-
# ===
|
| 789 |
-
#
|
| 790 |
-
|
| 791 |
-
|
| 792 |
-
|
| 793 |
-
|
| 794 |
-
|
| 795 |
-
|
| 796 |
-
|
| 797 |
-
|
| 798 |
-
|
| 799 |
-
|
| 800 |
-
|
| 801 |
-
|
| 802 |
-
|
| 803 |
-
|
| 804 |
-
|
| 805 |
-
#
|
| 806 |
-
|
| 807 |
-
|
| 808 |
-
|
| 809 |
-
|
| 810 |
-
|
| 811 |
-
|
| 812 |
-
|
| 813 |
-
|
| 814 |
-
|
| 815 |
-
|
| 816 |
-
#
|
| 817 |
-
|
| 818 |
-
|
| 819 |
-
|
| 820 |
-
|
| 821 |
-
|
| 822 |
-
|
| 823 |
-
|
| 824 |
-
|
| 825 |
-
|
| 826 |
-
|
| 827 |
-
|
| 828 |
-
|
| 829 |
-
# ===
|
| 830 |
-
|
| 831 |
-
|
| 832 |
-
|
| 833 |
-
|
| 834 |
-
|
| 835 |
-
|
| 836 |
-
|
| 837 |
-
|
| 838 |
-
|
| 839 |
-
|
| 840 |
-
|
| 841 |
-
|
| 842 |
-
|
| 843 |
-
|
| 844 |
-
|
| 845 |
-
|
| 846 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 847 |
with gr.TabItem("📓 Journal"):
|
| 848 |
gr.Markdown("### Lab Journal")
|
| 849 |
with gr.Row():
|
| 850 |
note_text = gr.Textbox(label="📝 Observation", placeholder="What did you discover?", lines=3)
|
| 851 |
note_tab = gr.Textbox(label="Project code (e.g. S1-A·R1a)", value="General")
|
| 852 |
-
|
| 853 |
-
|
| 854 |
-
save_msg = gr.Markdown()
|
| 855 |
-
journal_df = gr.Dataframe(label="📋 Full History", value=load_journal(), interactive=False)
|
| 856 |
refresh_btn = gr.Button("🔄 Refresh")
|
| 857 |
-
|
| 858 |
-
|
|
|
|
|
|
|
|
|
|
| 859 |
|
| 860 |
-
#
|
| 861 |
with gr.TabItem("📚 Learning"):
|
| 862 |
gr.Markdown("""
|
| 863 |
## 🧪 Guided Investigations
|
|
@@ -868,7 +937,7 @@ with gr.Blocks(css=css, title="K R&D Lab · S1 Biomedical") as demo:
|
|
| 868 |
**S1-D · R2a** Flow Corona – compare flow 0 vs 40 cm/s
|
| 869 |
**S1-B · R2a** siRNA – count "Novel" targets across cancer types
|
| 870 |
**S1-E · R1a** Liquid Biopsy – find minimal signal for CANCER
|
| 871 |
-
|
| 872 |
""")
|
| 873 |
|
| 874 |
gr.Markdown(
|
|
|
|
| 9 |
from PIL import Image
|
| 10 |
from datetime import datetime
|
| 11 |
from pathlib import Path
|
| 12 |
+
import plotly.graph_objects as go
|
| 13 |
+
import plotly.express as px
|
| 14 |
|
| 15 |
# ========== Діагностичний друк ==========
|
| 16 |
print("Gradio version:", gr.__version__)
|
|
|
|
| 45 |
try:
|
| 46 |
if not LOG_PATH.exists():
|
| 47 |
return pd.DataFrame(columns=["timestamp","tab","inputs","result","note"])
|
| 48 |
+
df = pd.read_csv(LOG_PATH)
|
| 49 |
+
# Convert to markdown for nice display
|
| 50 |
+
if df.empty:
|
| 51 |
+
return "No entries yet."
|
| 52 |
+
return df.tail(20).to_markdown(index=False)
|
| 53 |
except Exception:
|
| 54 |
+
return "Error loading journal."
|
| 55 |
|
| 56 |
+
def save_note(note, tab):
|
| 57 |
+
log_entry(tab, "manual note", note, note)
|
| 58 |
+
return load_journal()
|
| 59 |
+
|
| 60 |
+
def clear_journal():
|
| 61 |
+
try:
|
| 62 |
+
if LOG_PATH.exists():
|
| 63 |
+
LOG_PATH.unlink()
|
| 64 |
+
return "Journal cleared."
|
| 65 |
+
except Exception:
|
| 66 |
+
return "Error clearing journal."
|
| 67 |
|
| 68 |
# ========== БАЗИ ДАНИХ ==========
|
| 69 |
MIRNA_DB = {
|
|
|
|
| 166 |
"clusterin","igm","iga","igg","complement","transferrin",
|
| 167 |
"alpha-2-macroglobulin"]
|
| 168 |
|
| 169 |
+
# ---------- S1-F RARE ----------
|
| 170 |
+
DIPG_VARIANTS = [
|
| 171 |
+
{"Variant":"H3K27M (H3F3A)","Freq_pct":78,"Pathway":"PRC2 inhibition → global H3K27me3 loss","Drug_status":"ONC201 (clinical)","Circadian_gene":"BMAL1 suppressed"},
|
| 172 |
+
{"Variant":"ACVR1 p.R206H","Freq_pct":21,"Pathway":"BMP/SMAD hyperactivation","Drug_status":"LDN-193189 (preclinical)","Circadian_gene":"PER1 disrupted"},
|
| 173 |
+
{"Variant":"PIK3CA p.H1047R","Freq_pct":15,"Pathway":"PI3K/AKT/mTOR","Drug_status":"Copanlisib (clinical)","Circadian_gene":"CRY1 altered"},
|
| 174 |
+
{"Variant":"TP53 p.R248W","Freq_pct":14,"Pathway":"DNA damage response loss","Drug_status":"APR-246 (clinical)","Circadian_gene":"p53-CLOCK axis"},
|
| 175 |
+
{"Variant":"PDGFRA amp","Freq_pct":13,"Pathway":"RTK/RAS signalling","Drug_status":"Avapritinib (clinical)","Circadian_gene":"REV-ERB altered"},
|
| 176 |
+
]
|
| 177 |
+
DIPG_CSF_LNP = [
|
| 178 |
+
{"Formulation":"MC3-DSPC-Chol-PEG","Size_nm":92,"Zeta_mV":-4.1,"CSF_protein":"Beta2-microglobulin","ApoE_pct":12.4,"BBB_est":0.41,"Priority":"HIGH"},
|
| 179 |
+
{"Formulation":"DLin-KC2-DSPE-PEG","Size_nm":87,"Zeta_mV":-3.8,"CSF_protein":"Cystatin C","ApoE_pct":14.1,"BBB_est":0.47,"Priority":"HIGH"},
|
| 180 |
+
{"Formulation":"C12-200-DOPE-PEG","Size_nm":103,"Zeta_mV":-5.2,"CSF_protein":"Albumin (low)","ApoE_pct":9.8,"BBB_est":0.33,"Priority":"MEDIUM"},
|
| 181 |
+
{"Formulation":"DODAP-DSPC-Chol","Size_nm":118,"Zeta_mV":-2.1,"CSF_protein":"Transferrin","ApoE_pct":7.2,"BBB_est":0.24,"Priority":"LOW"},
|
| 182 |
+
]
|
| 183 |
+
|
| 184 |
+
UVM_VARIANTS = [
|
| 185 |
+
{"Variant":"GNAQ p.Q209L","Freq_pct":46,"Pathway":"PLCβ → PKC → MAPK","Drug_status":"Darovasertib (clinical)","m6A_writer":"METTL3 upregulated"},
|
| 186 |
+
{"Variant":"GNA11 p.Q209L","Freq_pct":32,"Pathway":"PLCβ → PKC → MAPK","Drug_status":"Darovasertib (clinical)","m6A_writer":"WTAP upregulated"},
|
| 187 |
+
{"Variant":"BAP1 loss","Freq_pct":47,"Pathway":"Chromatin remodeling → metastasis","Drug_status":"No approved (HDAC trials)","m6A_writer":"FTO overexpressed"},
|
| 188 |
+
{"Variant":"SF3B1 p.R625H","Freq_pct":19,"Pathway":"Splicing alteration → neoepitopes","Drug_status":"H3B-8800 (clinical)","m6A_writer":"METTL14 altered"},
|
| 189 |
+
{"Variant":"EIF1AX p.A113_splice","Freq_pct":14,"Pathway":"Translation initiation","Drug_status":"Novel — no drug","m6A_writer":"YTHDF2 suppressed"},
|
| 190 |
+
]
|
| 191 |
+
UVM_VITREOUS_LNP = [
|
| 192 |
+
{"Formulation":"SM-102-DSPC-Chol-PEG","Vitreal_protein":"Hyaluronan-binding","Size_nm":95,"Zeta_mV":-3.2,"Retention_h":18,"Priority":"HIGH"},
|
| 193 |
+
{"Formulation":"Lipid-H-DOPE-PEG","Vitreal_protein":"Vitronectin dominant","Size_nm":88,"Zeta_mV":-4.0,"Retention_h":22,"Priority":"HIGH"},
|
| 194 |
+
{"Formulation":"DOTAP-DSPC-PEG","Vitreal_protein":"Albumin wash-out","Size_nm":112,"Zeta_mV":+2.1,"Retention_h":6,"Priority":"LOW"},
|
| 195 |
+
{"Formulation":"MC3-DPPC-Chol","Vitreal_protein":"Clusterin-rich","Size_nm":101,"Zeta_mV":-2.8,"Retention_h":14,"Priority":"MEDIUM"},
|
| 196 |
+
]
|
| 197 |
+
|
| 198 |
+
PAML_VARIANTS = [
|
| 199 |
+
{"Variant":"FLT3-ITD","Freq_pct":25,"Pathway":"RTK constitutive activation → JAK/STAT","Drug_status":"Midostaurin (approved)","Ferroptosis":"GPX4 suppressed"},
|
| 200 |
+
{"Variant":"NPM1 c.860_863dupTCAG","Freq_pct":30,"Pathway":"Nuclear export deregulation","Drug_status":"APR-548 combo (clinical)","Ferroptosis":"SLC7A11 upregulated"},
|
| 201 |
+
{"Variant":"DNMT3A p.R882H","Freq_pct":18,"Pathway":"Epigenetic dysregulation","Drug_status":"Azacitidine (approved)","Ferroptosis":"ACSL4 altered"},
|
| 202 |
+
{"Variant":"CEBPA biallelic","Freq_pct":8,"Pathway":"Myeloid differentiation block","Drug_status":"Novel target","Ferroptosis":"NRF2 pathway"},
|
| 203 |
+
{"Variant":"IDH1/2 mutation","Freq_pct":15,"Pathway":"2-HG oncometabolite → TET2 inhibition","Drug_status":"Enasidenib (approved)","Ferroptosis":"Iron metabolism disrupted"},
|
| 204 |
+
]
|
| 205 |
+
PAML_BM_LNP = [
|
| 206 |
+
{"Formulation":"ALC-0315-DSPC-Chol-PEG","BM_protein":"ApoE + Clusterin","Size_nm":98,"Zeta_mV":-3.5,"Marrow_uptake_pct":34,"Priority":"HIGH"},
|
| 207 |
+
{"Formulation":"MC3-DOPE-Chol-PEG","BM_protein":"Fibronectin dominant","Size_nm":105,"Zeta_mV":-4.2,"Marrow_uptake_pct":28,"Priority":"HIGH"},
|
| 208 |
+
{"Formulation":"DLin-MC3-DPPC","BM_protein":"Vitronectin-rich","Size_nm":91,"Zeta_mV":-2.9,"Marrow_uptake_pct":19,"Priority":"MEDIUM"},
|
| 209 |
+
{"Formulation":"Cationic-DOTAP-Chol","BM_protein":"Opsonin-heavy","Size_nm":132,"Zeta_mV":+8.1,"Marrow_uptake_pct":8,"Priority":"LOW"},
|
| 210 |
+
]
|
| 211 |
+
|
| 212 |
+
# ========== ФУНКЦІЇ ПРЕДИКЦІЇ (з обробкою помилок) ==========
|
| 213 |
+
|
| 214 |
+
def safe_img_from_fig(fig):
|
| 215 |
+
"""Convert matplotlib figure to PIL Image safely."""
|
| 216 |
+
try:
|
| 217 |
+
buf = BytesIO()
|
| 218 |
+
fig.savefig(buf, format="png", dpi=120, facecolor=CARD)
|
| 219 |
+
buf.seek(0)
|
| 220 |
+
img = Image.open(buf)
|
| 221 |
+
plt.close(fig)
|
| 222 |
+
return img
|
| 223 |
+
except Exception:
|
| 224 |
+
plt.close(fig)
|
| 225 |
+
# Return a blank image as fallback
|
| 226 |
+
return Image.new('RGB', (100, 100), color=CARD)
|
| 227 |
+
|
| 228 |
def predict_mirna(gene):
|
| 229 |
df = pd.DataFrame(MIRNA_DB.get(gene, []))
|
| 230 |
log_entry("S1-B · R1a · miRNA", gene, f"{len(df)} miRNAs")
|
|
|
|
| 244 |
return pd.DataFrame(ASO)
|
| 245 |
|
| 246 |
def predict_drug(pocket):
|
| 247 |
+
try:
|
| 248 |
+
df = pd.DataFrame(FGFR3.get(pocket, []))
|
| 249 |
+
if df.empty:
|
| 250 |
+
return pd.DataFrame(), None
|
| 251 |
+
fig, ax = plt.subplots(figsize=(6, 4), facecolor=CARD)
|
| 252 |
+
ax.set_facecolor(CARD)
|
| 253 |
+
ax.barh(df["Compound"], df["Final_score"], color=ACC)
|
| 254 |
+
ax.set_xlabel("Final Score", color=TXT)
|
| 255 |
+
ax.tick_params(colors=TXT)
|
| 256 |
+
for sp in ax.spines.values(): sp.set_edgecolor(BORDER)
|
| 257 |
+
ax.set_title(f"Top compounds — {pocket}", color=TXT, fontsize=10)
|
| 258 |
+
plt.tight_layout()
|
| 259 |
+
img = safe_img_from_fig(fig)
|
| 260 |
+
log_entry("S1-C · R1a · FGFR3", pocket, f"Top: {df.iloc[0]['Compound'] if len(df) else 'none'}")
|
| 261 |
+
return df, img
|
| 262 |
+
except Exception as e:
|
| 263 |
+
log_entry("S1-C · R1a · FGFR3", pocket, f"Error: {str(e)}")
|
| 264 |
+
return pd.DataFrame(), None
|
| 265 |
|
| 266 |
def predict_variant(hgvs, sift, polyphen, gnomad):
|
| 267 |
hgvs = hgvs.strip()
|
|
|
|
| 290 |
)
|
| 291 |
|
| 292 |
def predict_corona(size, zeta, peg, lipid):
|
| 293 |
+
try:
|
| 294 |
+
score = 0
|
| 295 |
+
if lipid == "Ionizable": score += 2
|
| 296 |
+
elif lipid == "Cationic": score += 1
|
| 297 |
+
if abs(zeta) < 10: score += 1
|
| 298 |
+
if peg > 1.5: score += 2
|
| 299 |
+
if size < 100: score += 1
|
| 300 |
+
dominant = ["ApoE","Albumin","Fibrinogen","Vitronectin","ApoA-I"][min(score, 4)]
|
| 301 |
+
efficacy = "High" if score >= 4 else "Medium" if score >= 2 else "Low"
|
| 302 |
+
log_entry("S1-D · R1a · Corona", f"size={size},peg={peg}", f"dominant={dominant}")
|
| 303 |
+
return f"**Dominant corona protein:** {dominant}\n\n**Predicted efficacy:** {efficacy}\n\n**Score:** {score}/6"
|
| 304 |
+
except Exception as e:
|
| 305 |
+
return f"Error: {str(e)}"
|
| 306 |
|
| 307 |
def predict_cancer(c1,c2,c3,c4,c5,c6,c7,c8,c9,c10):
|
| 308 |
+
try:
|
| 309 |
+
vals = [c1,c2,c3,c4,c5,c6,c7,c8,c9,c10]
|
| 310 |
+
names, weights = list(BM_W.keys()), list(BM_W.values())
|
| 311 |
+
raw = sum(v*w for v,w in zip(vals, weights))
|
| 312 |
+
prob = 1 / (1 + np.exp(-raw * 2))
|
| 313 |
+
label = "CANCER" if prob > 0.5 else "HEALTHY"
|
| 314 |
+
colour = RED if prob > 0.5 else GRN
|
| 315 |
+
contribs = [v*w for v,w in zip(vals, weights)]
|
| 316 |
+
fig, ax = plt.subplots(figsize=(6, 3.5), facecolor=CARD)
|
| 317 |
+
ax.set_facecolor(CARD)
|
| 318 |
+
ax.barh(names, contribs, color=[ACC if c > 0 else ACC2 for c in contribs])
|
| 319 |
+
ax.axvline(0, color=TXT, linewidth=0.8)
|
| 320 |
+
ax.set_xlabel("Contribution to cancer score", color=TXT)
|
| 321 |
+
ax.tick_params(colors=TXT, labelsize=8)
|
| 322 |
+
for sp in ax.spines.values(): sp.set_edgecolor(BORDER)
|
| 323 |
+
ax.set_title("Protein contributions", color=TXT, fontsize=10)
|
| 324 |
+
plt.tight_layout()
|
| 325 |
+
img = safe_img_from_fig(fig)
|
| 326 |
+
log_entry("S1-E · R1a · Liquid Biopsy", f"CTHRC1={c1},FHL2={c2}", f"{label} {prob:.2f}")
|
| 327 |
+
html_out = (
|
| 328 |
+
f"<div style=\'background:{CARD};padding:14px;border-radius:8px;font-family:sans-serif;\'>"
|
| 329 |
+
f"<p style=\'font-size:11px;color:{DIM};margin:0 0 6px\'>S1-E · R1a · Liquid Biopsy</p>"
|
| 330 |
+
f"<span style=\'color:{colour};font-size:24px;font-weight:bold\'>{label}</span><br>"
|
| 331 |
+
f"<span style=\'color:{TXT};font-size:14px\'>Probability: {prob:.2f}</span></div>"
|
| 332 |
+
)
|
| 333 |
+
return html_out, img
|
| 334 |
+
except Exception as e:
|
| 335 |
+
return f"<div style='color:{RED}'>Error: {str(e)}</div>", None
|
| 336 |
|
| 337 |
def predict_flow(size, zeta, peg, charge, flow_rate):
|
| 338 |
+
try:
|
| 339 |
+
csi = round(min((flow_rate/40)*0.6 + (peg/5)*0.2 + (1 if charge=="Cationic" else 0)*0.2, 1.0), 3)
|
| 340 |
+
stability = "High remodeling" if csi > 0.6 else "Medium" if csi > 0.3 else "Stable"
|
| 341 |
+
t = np.linspace(0, 60, 200)
|
| 342 |
+
kf, ks = 0.03*(1+flow_rate/40), 0.038*(1+flow_rate/40)
|
| 343 |
+
fig, ax = plt.subplots(figsize=(6, 3.5), facecolor=CARD)
|
| 344 |
+
ax.set_facecolor(CARD)
|
| 345 |
+
ax.plot(t, 60*np.exp(-0.03*t)+20, color="#60a5fa", ls="--", label="Albumin (static)")
|
| 346 |
+
ax.plot(t, 60*np.exp(-kf*t)+10, color="#60a5fa", label="Albumin (flow)")
|
| 347 |
+
ax.plot(t, 14*(1-np.exp(-0.038*t))+5, color=ACC, ls="--", label="ApoE (static)")
|
| 348 |
+
ax.plot(t, 20*(1-np.exp(-ks*t))+5, color=ACC, label="ApoE (flow)")
|
| 349 |
+
ax.set_xlabel("Time (min)", color=TXT); ax.set_ylabel("% Corona", color=TXT)
|
| 350 |
+
ax.tick_params(colors=TXT); ax.legend(fontsize=7, labelcolor=TXT, facecolor=CARD)
|
| 351 |
+
for sp in ax.spines.values(): sp.set_edgecolor(BORDER)
|
| 352 |
+
ax.set_title("Vroman Effect — flow vs static", color=TXT, fontsize=9)
|
| 353 |
+
plt.tight_layout()
|
| 354 |
+
img = safe_img_from_fig(fig)
|
| 355 |
+
log_entry("S1-D · R2a · Flow Corona", f"flow={flow_rate}", f"CSI={csi}")
|
| 356 |
+
return f"**Corona Shift Index: {csi}** — {stability}", img
|
| 357 |
+
except Exception as e:
|
| 358 |
+
return f"Error: {str(e)}", None
|
| 359 |
|
| 360 |
def predict_bbb(smiles, pka, zeta):
|
| 361 |
+
try:
|
| 362 |
+
logp = smiles.count("C")*0.3 - smiles.count("O")*0.5 + 1.5
|
| 363 |
+
apoe_pct = max(0, min(40, (7.0-pka)*8 + abs(zeta)*0.5 + logp*0.8))
|
| 364 |
+
bbb_prob = min(0.95, apoe_pct/30)
|
| 365 |
+
tier = "HIGH (>20%)" if apoe_pct > 20 else "MEDIUM (10-20%)" if apoe_pct > 10 else "LOW (<10%)"
|
| 366 |
+
cats = ["ApoE%","BBB","logP","pKa fit","Zeta"]
|
| 367 |
+
vals = [apoe_pct/40, bbb_prob, min(logp/5,1), (7-abs(pka-6.5))/7, (10-abs(zeta))/10]
|
| 368 |
+
angles = np.linspace(0, 2*np.pi, len(cats), endpoint=False).tolist()
|
| 369 |
+
v2, a2 = vals+[vals[0]], angles+[angles[0]]
|
| 370 |
+
fig, ax = plt.subplots(figsize=(5, 4), subplot_kw={"polar":True}, facecolor=CARD)
|
| 371 |
+
ax.set_facecolor(CARD)
|
| 372 |
+
ax.plot(a2, v2, color=ACC, linewidth=2); ax.fill(a2, v2, color=ACC, alpha=0.2)
|
| 373 |
+
ax.set_xticks(angles); ax.set_xticklabels(cats, color=TXT, fontsize=8)
|
| 374 |
+
ax.tick_params(colors=TXT)
|
| 375 |
+
plt.tight_layout()
|
| 376 |
+
img = safe_img_from_fig(fig)
|
| 377 |
+
log_entry("S1-D · R3a · LNP Brain", f"pka={pka},zeta={zeta}", f"ApoE={apoe_pct:.1f}%")
|
| 378 |
+
return f"**Predicted ApoE:** {apoe_pct:.1f}% — {tier}\n\n**BBB Probability:** {bbb_prob:.2f}", img
|
| 379 |
+
except Exception as e:
|
| 380 |
+
return f"Error: {str(e)}", None
|
| 381 |
|
| 382 |
def extract_corona(text):
|
| 383 |
+
try:
|
| 384 |
+
out = {"nanoparticle_composition":"","size_nm":None,"zeta_mv":None,"PDI":None,
|
| 385 |
+
"protein_source":"","corona_proteins":[],"confidence":{}}
|
| 386 |
+
for pat, key in [(r"(\d+\.?\d*)\s*(?:nm|nanometer)","size_nm"),
|
| 387 |
+
(r"([+-]?\d+\.?\d*)\s*mV","zeta_mv"),
|
| 388 |
+
(r"PDI\s*[=:of]*\s*(\d+\.?\d*)","PDI")]:
|
| 389 |
+
m = re.search(pat, text, re.I)
|
| 390 |
+
if m: out[key] = float(m.group(1)); out["confidence"][key] = "HIGH"
|
| 391 |
+
for src in ["human plasma","human serum","fetal bovine serum","FBS","PBS"]:
|
| 392 |
+
if src.lower() in text.lower():
|
| 393 |
+
out["protein_source"] = src; out["confidence"]["protein_source"] = "HIGH"; break
|
| 394 |
+
out["corona_proteins"] = [{"name":p,"confidence":"MEDIUM"} for p in PROTEINS if p in text.lower()]
|
| 395 |
+
for lip in ["DSPC","DOPE","MC3","DLin","cholesterol","PEG","DOTAP"]:
|
| 396 |
+
if lip in text: out["nanoparticle_composition"] += lip + " "
|
| 397 |
+
out["nanoparticle_composition"] = out["nanoparticle_composition"].strip()
|
| 398 |
+
flags = []
|
| 399 |
+
if not out["size_nm"]: flags.append("size_nm not found")
|
| 400 |
+
if not out["zeta_mv"]: flags.append("zeta_mv not found")
|
| 401 |
+
if not out["corona_proteins"]: flags.append("no proteins detected")
|
| 402 |
+
summary = "All key fields extracted" if not flags else " | ".join(flags)
|
| 403 |
+
log_entry("S1-D · R4a · AutoCorona NLP", text[:80], f"proteins={len(out['corona_proteins'])}")
|
| 404 |
+
return json.dumps(out, indent=2), summary
|
| 405 |
+
except Exception as e:
|
| 406 |
+
return json.dumps({"error": str(e)}), "Extraction error"
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 407 |
|
| 408 |
def dipg_variants(sort_by):
|
| 409 |
df = pd.DataFrame(DIPG_VARIANTS).sort_values(
|
|
|
|
| 412 |
return df
|
| 413 |
|
| 414 |
def dipg_csf(peg, size):
|
| 415 |
+
try:
|
| 416 |
+
df = pd.DataFrame(DIPG_CSF_LNP)
|
| 417 |
+
df["Score"] = df["ApoE_pct"]/40 + df["BBB_est"] - abs(df["Size_nm"]-size)/200
|
| 418 |
+
df = df.sort_values("Score", ascending=False)
|
| 419 |
+
fig, ax = plt.subplots(figsize=(6, 3), facecolor=CARD)
|
| 420 |
+
ax.set_facecolor(CARD)
|
| 421 |
+
colors = [GRN if p=="HIGH" else ACC if p=="MEDIUM" else RED for p in df["Priority"]]
|
| 422 |
+
ax.barh(df["Formulation"], df["ApoE_pct"], color=colors)
|
| 423 |
+
ax.set_xlabel("ApoE% in CSF corona", color=TXT)
|
| 424 |
+
ax.tick_params(colors=TXT, labelsize=8)
|
| 425 |
+
for sp in ax.spines.values(): sp.set_edgecolor(BORDER)
|
| 426 |
+
ax.set_title("DIPG — CSF LNP formulations (ApoE%)", color=TXT, fontsize=9)
|
| 427 |
+
plt.tight_layout()
|
| 428 |
+
img = safe_img_from_fig(fig)
|
| 429 |
+
log_entry("S1-F · R1a · DIPG CSF", f"peg={peg},size={size}", "formulation ranking")
|
| 430 |
+
return df[["Formulation","Size_nm","Zeta_mV","ApoE_pct","BBB_est","Priority"]], img
|
| 431 |
+
except Exception as e:
|
| 432 |
+
return pd.DataFrame(), None
|
| 433 |
|
| 434 |
def uvm_variants():
|
| 435 |
df = pd.DataFrame(UVM_VARIANTS)
|
|
|
|
| 437 |
return df
|
| 438 |
|
| 439 |
def uvm_vitreous():
|
| 440 |
+
try:
|
| 441 |
+
df = pd.DataFrame(UVM_VITREOUS_LNP)
|
| 442 |
+
fig, ax = plt.subplots(figsize=(6, 3), facecolor=CARD)
|
| 443 |
+
ax.set_facecolor(CARD)
|
| 444 |
+
colors = [GRN if p=="HIGH" else ACC if p=="MEDIUM" else RED for p in df["Priority"]]
|
| 445 |
+
ax.barh(df["Formulation"], df["Retention_h"], color=colors)
|
| 446 |
+
ax.set_xlabel("Vitreous retention (hours)", color=TXT)
|
| 447 |
+
ax.tick_params(colors=TXT, labelsize=8)
|
| 448 |
+
for sp in ax.spines.values(): sp.set_edgecolor(BORDER)
|
| 449 |
+
ax.set_title("UVM — LNP retention in vitreous humor", color=TXT, fontsize=9)
|
| 450 |
+
plt.tight_layout()
|
| 451 |
+
img = safe_img_from_fig(fig)
|
| 452 |
+
log_entry("S1-F · R2a · UVM Vitreous", "load", "vitreous LNP ranking")
|
| 453 |
+
return df, img
|
| 454 |
+
except Exception as e:
|
| 455 |
+
return pd.DataFrame(), None
|
| 456 |
|
| 457 |
def paml_ferroptosis(variant):
|
| 458 |
+
try:
|
| 459 |
+
row = next((r for r in PAML_VARIANTS if variant in r["Variant"]), PAML_VARIANTS[0])
|
| 460 |
+
ferr_map = {"GPX4 suppressed": 0.85, "SLC7A11 upregulated": 0.72,
|
| 461 |
+
"ACSL4 altered": 0.61, "NRF2 pathway": 0.55, "Iron metabolism disrupted": 0.78}
|
| 462 |
+
ferr_score = ferr_map.get(row["Ferroptosis"], 0.5)
|
| 463 |
+
cats = ["Ferroptosis\nsensitivity", "Drug\navailable", "BM niche\ncoverage", "Data\nmaturity", "Target\nnovelty"]
|
| 464 |
+
has_drug = 0.9 if row["Drug_status"] not in ["Novel target"] else 0.3
|
| 465 |
+
vals = [ferr_score, has_drug, 0.6, 0.55, 1-has_drug+0.2]
|
| 466 |
+
angles = np.linspace(0, 2*np.pi, len(cats), endpoint=False).tolist()
|
| 467 |
+
v2, a2 = vals+[vals[0]], angles+[angles[0]]
|
| 468 |
+
fig, ax = plt.subplots(figsize=(5, 4), subplot_kw={"polar":True}, facecolor=CARD)
|
| 469 |
+
ax.set_facecolor(CARD)
|
| 470 |
+
ax.plot(a2, v2, color=ACC2, linewidth=2); ax.fill(a2, v2, color=ACC2, alpha=0.2)
|
| 471 |
+
ax.set_xticks(angles); ax.set_xticklabels(cats, color=TXT, fontsize=8)
|
| 472 |
+
ax.tick_params(colors=TXT)
|
| 473 |
+
ax.set_title(f"pAML · {row['Variant'][:20]}", color=TXT, fontsize=9)
|
| 474 |
+
plt.tight_layout()
|
| 475 |
+
img = safe_img_from_fig(fig)
|
| 476 |
+
log_entry("S1-F · R3a · pAML", variant, f"ferr={ferr_score:.2f}")
|
| 477 |
+
_v = row["Variant"]
|
| 478 |
+
_p = row["Pathway"]
|
| 479 |
+
_d = row["Drug_status"]
|
| 480 |
+
_f = row["Ferroptosis"]
|
| 481 |
+
_fs = f"{ferr_score:.2f}"
|
| 482 |
+
summary = (
|
| 483 |
+
f"<div style='background:{CARD};padding:14px;border-radius:8px;font-family:sans-serif;'>"
|
| 484 |
+
f"<p style='color:{DIM};font-size:11px;margin:0 0 6px'>S1-F · R3a · pAML</p>"
|
| 485 |
+
f"<b style='color:{ACC2};font-size:15px'>{_v}</b><br>"
|
| 486 |
+
f"<p style='color:{TXT};margin:6px 0'><b>Pathway:</b> {_p}</p>"
|
| 487 |
+
f"<p style='color:{TXT};margin:0'><b>Drug:</b> {_d}</p>"
|
| 488 |
+
f"<p style='color:{TXT};margin:6px 0'><b>Ferroptosis link:</b> {_f}</p>"
|
| 489 |
+
f"<p style='color:{TXT}'><b>Ferroptosis sensitivity score:</b> "
|
| 490 |
+
f"<span style='color:{ACC};font-size:18px'>{_fs}</span></p>"
|
| 491 |
+
f"<p style='font-size:11px;color:{DIM}'>Research only. Not clinical advice.</p></div>"
|
| 492 |
+
)
|
| 493 |
+
return summary, img
|
| 494 |
+
except Exception as e:
|
| 495 |
+
return f"<div style='color:{RED}'>Error: {str(e)}</div>", None
|
| 496 |
|
| 497 |
# ========== ДОПОМІЖНІ ФУНКЦІЇ ==========
|
| 498 |
def section_header(code, name, tagline, projects_html):
|
|
|
|
| 518 |
f"</div>"
|
| 519 |
)
|
| 520 |
|
| 521 |
+
# ========== 3D моделі (функції) ==========
|
| 522 |
+
def plot_nanoparticle(r, peg):
|
| 523 |
+
theta = np.linspace(0, 2*np.pi, 30)
|
| 524 |
+
phi = np.linspace(0, np.pi, 30)
|
| 525 |
+
theta, phi = np.meshgrid(theta, phi)
|
| 526 |
+
x = r * np.sin(phi) * np.cos(theta)
|
| 527 |
+
y = r * np.sin(phi) * np.sin(theta)
|
| 528 |
+
z = r * np.cos(phi)
|
| 529 |
+
fig = go.Figure(data=[go.Surface(x=x, y=y, z=z, colorscale='Blues', opacity=0.7)])
|
| 530 |
+
if peg > 0:
|
| 531 |
+
n_points = int(100 * peg)
|
| 532 |
+
u = np.random.uniform(0, 1, n_points)
|
| 533 |
+
v = np.random.uniform(0, 1, n_points)
|
| 534 |
+
theta_pts = 2 * np.pi * u
|
| 535 |
+
phi_pts = np.arccos(2*v - 1)
|
| 536 |
+
x_pts = (r + 0.5) * np.sin(phi_pts) * np.cos(theta_pts)
|
| 537 |
+
y_pts = (r + 0.5) * np.sin(phi_pts) * np.sin(theta_pts)
|
| 538 |
+
z_pts = (r + 0.5) * np.cos(phi_pts)
|
| 539 |
+
fig.add_scatter3d(x=x_pts, y=y_pts, z=z_pts, mode='markers',
|
| 540 |
+
marker=dict(size=3, color='red'), name='PEG')
|
| 541 |
+
fig.update_layout(
|
| 542 |
+
title=f"Nanoparticle (r={r} nm, PEG={peg})",
|
| 543 |
+
scene=dict(xaxis_title='X (nm)', yaxis_title='Y (nm)', zaxis_title='Z (nm)'),
|
| 544 |
+
width=500, height=400
|
| 545 |
+
)
|
| 546 |
+
return fig
|
| 547 |
+
|
| 548 |
+
def plot_dna():
|
| 549 |
+
t = np.linspace(0, 4*np.pi, 200)
|
| 550 |
+
x1 = np.cos(t)
|
| 551 |
+
y1 = np.sin(t)
|
| 552 |
+
z1 = t
|
| 553 |
+
x2 = np.cos(t + np.pi)
|
| 554 |
+
y2 = np.sin(t + np.pi)
|
| 555 |
+
z2 = t
|
| 556 |
+
fig = go.Figure()
|
| 557 |
+
fig.add_scatter3d(x=x1, y=y1, z=z1, mode='lines', line=dict(color='blue', width=5), name='Strand 1')
|
| 558 |
+
fig.add_scatter3d(x=x2, y=y2, z=z2, mode='lines', line=dict(color='red', width=5), name='Strand 2')
|
| 559 |
+
for i in range(0, len(t), 10):
|
| 560 |
+
fig.add_scatter3d(x=[x1[i], x2[i]], y=[y1[i], y2[i]], z=[z1[i], z2[i]],
|
| 561 |
+
mode='lines', line=dict(color='gray', width=1), showlegend=False)
|
| 562 |
+
fig.update_layout(
|
| 563 |
+
title='DNA Double Helix',
|
| 564 |
+
scene=dict(xaxis_title='X', yaxis_title='Y', zaxis_title='Z'),
|
| 565 |
+
width=500, height=400
|
| 566 |
+
)
|
| 567 |
+
return fig
|
| 568 |
+
|
| 569 |
+
def plot_corona():
|
| 570 |
+
r = 5
|
| 571 |
+
theta = np.linspace(0, 2*np.pi, 20)
|
| 572 |
+
phi = np.linspace(0, np.pi, 20)
|
| 573 |
+
theta, phi = np.meshgrid(theta, phi)
|
| 574 |
+
x = r * np.sin(phi) * np.cos(theta)
|
| 575 |
+
y = r * np.sin(phi) * np.sin(theta)
|
| 576 |
+
z = r * np.cos(phi)
|
| 577 |
+
fig = go.Figure(data=[go.Surface(x=x, y=y, z=z, colorscale='Blues', opacity=0.5)])
|
| 578 |
+
n_proteins = 50
|
| 579 |
+
u = np.random.uniform(0, 1, n_proteins)
|
| 580 |
+
v = np.random.uniform(0, 1, n_proteins)
|
| 581 |
+
theta_pts = 2 * np.pi * u
|
| 582 |
+
phi_pts = np.arccos(2*v - 1)
|
| 583 |
+
x_pts = (r + 1.5) * np.sin(phi_pts) * np.cos(theta_pts)
|
| 584 |
+
y_pts = (r + 1.5) * np.sin(phi_pts) * np.sin(theta_pts)
|
| 585 |
+
z_pts = (r + 1.5) * np.cos(phi_pts)
|
| 586 |
+
fig.add_scatter3d(x=x_pts, y=y_pts, z=z_pts, mode='markers',
|
| 587 |
+
marker=dict(size=5, color='orange'), name='Proteins')
|
| 588 |
+
fig.update_layout(
|
| 589 |
+
title='Protein Corona',
|
| 590 |
+
scene=dict(xaxis_title='X', yaxis_title='Y', zaxis_title='Z'),
|
| 591 |
+
width=500, height=400
|
| 592 |
+
)
|
| 593 |
+
return fig
|
| 594 |
+
|
| 595 |
# ========== CSS ==========
|
| 596 |
css = f"""
|
| 597 |
body, .gradio-container {{ background: {BG} !important; color: {TXT} !important; }}
|
|
|
|
| 684 |
with gr.TabItem("🗺️ Lab Map"):
|
| 685 |
gr.HTML(MAP_HTML)
|
| 686 |
|
| 687 |
+
# === S1-A · PHYLO-GENOMICS ===
|
| 688 |
with gr.TabItem("S1-A · R1a · OpenVariant"):
|
| 689 |
gr.HTML(proj_badge("S1-A · R1a", "OpenVariant — SNV Pathogenicity Classifier", "AUC = 0.939"))
|
| 690 |
hgvs = gr.Textbox(label="HGVS notation", placeholder="BRCA1:p.R1699Q")
|
|
|
|
| 700 |
["BRCA2:p.D2723A",0.01,0.98,0.0]], inputs=[hgvs,sift,pp,gn], cache_examples=False)
|
| 701 |
b_v.click(predict_variant, [hgvs,sift,pp,gn], o_v)
|
| 702 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 703 |
with gr.TabItem("S1-A · R1b · Somatic Classifier 🔶"):
|
| 704 |
gr.HTML(proj_badge("S1-A · R1b", "Somatic Mutation Classifier", "🔶 In progress"))
|
| 705 |
gr.Markdown("> This module is in active development. Coming in the next release.")
|
|
|
|
|
|
|
|
|
|
| 706 |
|
| 707 |
+
# === S1-B · PHYLO-RNA ===
|
|
|
|
|
|
|
| 708 |
with gr.TabItem("S1-B · R1a · BRCA2 miRNA"):
|
| 709 |
gr.HTML(proj_badge("S1-B · R1a", "miRNA Silencing — BRCA1/2 · TP53"))
|
| 710 |
g1 = gr.Dropdown(["BRCA2","BRCA1","TP53"], value="BRCA2", label="Gene")
|
|
|
|
| 712 |
o1 = gr.Dataframe(label="Top 5 downregulated miRNAs")
|
| 713 |
gr.Examples([["BRCA2"],["BRCA1"],["TP53"]], inputs=[g1])
|
| 714 |
b1.click(predict_mirna, [g1], o1)
|
|
|
|
|
|
|
|
|
|
| 715 |
|
|
|
|
|
|
|
|
|
|
| 716 |
with gr.TabItem("S1-B · R2a · TP53 siRNA"):
|
| 717 |
gr.HTML(proj_badge("S1-B · R2a", "siRNA Synthetic Lethal — TP53-null"))
|
| 718 |
g2 = gr.Dropdown(["LUAD","BRCA","COAD"], value="LUAD", label="Cancer type")
|
|
|
|
| 720 |
o2 = gr.Dataframe(label="Top 5 synthetic lethal targets")
|
| 721 |
gr.Examples([["LUAD"],["BRCA"],["COAD"]], inputs=[g2], cache_examples=False)
|
| 722 |
b2.click(predict_sirna, [g2], o2)
|
|
|
|
|
|
|
|
|
|
| 723 |
|
|
|
|
|
|
|
|
|
|
| 724 |
with gr.TabItem("S1-B · R3a · lncRNA-TREM2"):
|
| 725 |
gr.HTML(proj_badge("S1-B · R3a", "lncRNA-TREM2 ceRNA Network"))
|
| 726 |
b3 = gr.Button("Load Network", variant="primary")
|
| 727 |
o3 = gr.Dataframe(label="ceRNA Network")
|
| 728 |
b3.click(get_lncrna, [], o3)
|
|
|
|
|
|
|
|
|
|
| 729 |
|
|
|
|
|
|
|
|
|
|
| 730 |
with gr.TabItem("S1-B · R3b · ASO Designer"):
|
| 731 |
gr.HTML(proj_badge("S1-B · R3b", "ASO Candidates"))
|
| 732 |
b4 = gr.Button("Show ASOs", variant="primary")
|
| 733 |
o4 = gr.Dataframe(label="ASO Candidates")
|
| 734 |
b4.click(get_aso, [], o4)
|
| 735 |
+
|
| 736 |
+
# === S1-C · PHYLO-DRUG ===
|
| 737 |
+
# Розкоментовано проблемну вкладку "оце" - FGFR3
|
| 738 |
+
with gr.TabItem("S1-C · R1a · FGFR3 RNA Drug"):
|
| 739 |
+
gr.HTML(proj_badge("S1-C · R1a", "FGFR3 RNA-Directed Drug Discovery", "top score 0.793"))
|
| 740 |
+
g4 = gr.Radio(["P1 (hairpin loop)","P10 (G-quadruplex)"],
|
| 741 |
+
value="P1 (hairpin loop)", label="Target pocket")
|
| 742 |
+
b4_drug = gr.Button("Screen Compounds", variant="primary")
|
| 743 |
+
o4t = gr.Dataframe(label="Top 5 candidates")
|
| 744 |
+
o4p = gr.Image(label="Binding scores")
|
| 745 |
+
gr.Examples([["P1 (hairpin loop)"],["P10 (G-quadruplex)"]], inputs=[g4])
|
| 746 |
+
b4_drug.click(predict_drug, [g4], [o4t, o4p])
|
| 747 |
+
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 748 |
with gr.TabItem("S1-C · R1b · SL Drug Mapping 🔶"):
|
| 749 |
gr.HTML(proj_badge("S1-C · R1b", "Synthetic Lethal Drug Mapping", "🔶 In progress"))
|
| 750 |
gr.Markdown("> Coming soon.")
|
|
|
|
|
|
|
|
|
|
| 751 |
|
|
|
|
|
|
|
|
|
|
| 752 |
with gr.TabItem("S1-C · R2a · Frontier 🔴"):
|
| 753 |
gr.HTML(proj_badge("S1-C · R2a", "m6A × Ferroptosis × Circadian", "🔴 Frontier"))
|
| 754 |
gr.Markdown("> Planned for Q3 2026")
|
|
|
|
|
|
|
|
|
|
| 755 |
|
| 756 |
+
# === S1-D · PHYLO-LNP ===
|
|
|
|
|
|
|
| 757 |
with gr.TabItem("S1-D · R1a · LNP Corona"):
|
| 758 |
gr.HTML(proj_badge("S1-D · R1a", "LNP Protein Corona (Serum)", "AUC = 0.791"))
|
| 759 |
with gr.Row():
|
|
|
|
| 766 |
o6 = gr.Markdown()
|
| 767 |
gr.Examples([[100,-5,1.5,"Ionizable"],[80,5,0.5,"Cationic"]], inputs=[sz,zt,pg,lp])
|
| 768 |
b6.click(predict_corona, [sz,zt,pg,lp], o6)
|
| 769 |
+
|
| 770 |
+
# Розкоментовано проблемну вкладку "оце" - Flow Corona
|
| 771 |
+
with gr.TabItem("S1-D · R2a · Flow Corona"):
|
| 772 |
+
gr.HTML(proj_badge("S1-D · R2a", "Flow Corona — Vroman Effect"))
|
| 773 |
+
with gr.Row():
|
| 774 |
+
s8 = gr.Slider(50,300,value=100,step=1,label="Size (nm)")
|
| 775 |
+
z8 = gr.Slider(-40,10,value=-5,step=1,label="Zeta (mV)")
|
| 776 |
+
pg8 = gr.Slider(0,5,value=1.5,step=0.1,label="PEG mol%")
|
| 777 |
+
with gr.Row():
|
| 778 |
+
ch8 = gr.Dropdown(["Ionizable","Cationic","Anionic","Neutral"],value="Ionizable",label="Charge")
|
| 779 |
+
fl8 = gr.Slider(0,40,value=20,step=1,label="Flow cm/s")
|
| 780 |
+
b8 = gr.Button("Model Vroman Effect", variant="primary")
|
| 781 |
+
o8t = gr.Markdown()
|
| 782 |
+
o8p = gr.Image(label="Kinetics")
|
| 783 |
+
gr.Examples([[100,-5,1.5,"Ionizable",40],[150,5,0.5,"Cationic",10]], inputs=[s8,z8,pg8,ch8,fl8])
|
| 784 |
+
b8.click(predict_flow, [s8,z8,pg8,ch8,fl8], [o8t,o8p])
|
| 785 |
+
|
| 786 |
+
# Розкоментовано проблемну вкладку "оце" - LNP Brain
|
| 787 |
+
with gr.TabItem("S1-D · R3a · LNP Brain"):
|
| 788 |
+
gr.HTML(proj_badge("S1-D · R3a", "LNP Brain Delivery — ApoE% + BBB probability"))
|
| 789 |
+
smi = gr.Textbox(label="Ionizable lipid SMILES",
|
| 790 |
+
value="CC(C)CC(=O)OCC(COC(=O)CC(C)C)OC(=O)CC(C)C")
|
| 791 |
+
with gr.Row():
|
| 792 |
+
pk = gr.Slider(4,8,value=6.5,step=0.1,label="pKa")
|
| 793 |
+
zt9 = gr.Slider(-20,10,value=-3,step=1,label="Zeta (mV)")
|
| 794 |
+
b9 = gr.Button("Predict BBB Crossing", variant="primary")
|
| 795 |
+
o9t = gr.Markdown()
|
| 796 |
+
o9p = gr.Image(label="Radar profile")
|
| 797 |
+
gr.Examples([["CC(C)CC(=O)OCC(COC(=O)CC(C)C)OC(=O)CC(C)C",6.5,-3]], inputs=[smi,pk,zt9])
|
| 798 |
+
b9.click(predict_bbb, [smi,pk,zt9], [o9t,o9p])
|
| 799 |
+
|
| 800 |
+
# Розкоментовано проблемну вкладку "оце" - AutoCorona NLP
|
| 801 |
+
with gr.TabItem("S1-D · R4a · AutoCorona NLP"):
|
| 802 |
+
gr.HTML(proj_badge("S1-D · R4a", "AutoCorona NLP — from abstracts", "F1 = 0.71"))
|
| 803 |
+
txt = gr.Textbox(lines=5,label="Paper abstract",placeholder="Paste abstract here...")
|
| 804 |
+
b10 = gr.Button("Extract Data", variant="primary")
|
| 805 |
+
o10j = gr.Code(label="Extracted JSON", language="json")
|
| 806 |
+
o10f = gr.Textbox(label="Validation flags")
|
| 807 |
+
gr.Examples([[
|
| 808 |
+
"LNPs composed of MC3, DSPC, Cholesterol (50:10:40 mol%) with 1.5% PEG-DMG. "
|
| 809 |
+
"Hydrodynamic diameter was 98 nm, zeta potential -3.2 mV, PDI 0.12. "
|
| 810 |
+
"Incubated in human plasma. Corona: albumin, apolipoprotein E, fibrinogen."
|
| 811 |
+
]], inputs=[txt])
|
| 812 |
+
b10.click(extract_corona, txt, [o10j, o10f])
|
| 813 |
+
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 814 |
with gr.TabItem("S1-D · R5a · CSF/BM 🔴"):
|
| 815 |
gr.HTML(proj_badge("S1-D · R5a", "LNP Corona in CSF · Vitreous · Bone Marrow", "🔴 0 prior studies"))
|
| 816 |
gr.Markdown("> Planned for Q2–Q3 2026")
|
| 817 |
+
|
| 818 |
+
# === S1-E · PHYLO-BIOMARKERS ===
|
| 819 |
+
# Розкоментовано проблемну вкладку "оце" - Liquid Biopsy
|
| 820 |
+
with gr.TabItem("S1-E · R1a · Liquid Biopsy"):
|
| 821 |
+
gr.HTML(proj_badge("S1-E · R1a", "Liquid Biopsy Classifier", "AUC = 0.992*"))
|
| 822 |
+
with gr.Row():
|
| 823 |
+
p1=gr.Slider(-3,3,value=0,step=0.1,label="CTHRC1")
|
| 824 |
+
p2=gr.Slider(-3,3,value=0,step=0.1,label="FHL2")
|
| 825 |
+
p3=gr.Slider(-3,3,value=0,step=0.1,label="LDHA")
|
| 826 |
+
p4=gr.Slider(-3,3,value=0,step=0.1,label="P4HA1")
|
| 827 |
+
p5=gr.Slider(-3,3,value=0,step=0.1,label="SERPINH1")
|
| 828 |
+
with gr.Row():
|
| 829 |
+
p6=gr.Slider(-3,3,value=0,step=0.1,label="ABCA8")
|
| 830 |
+
p7=gr.Slider(-3,3,value=0,step=0.1,label="CA4")
|
| 831 |
+
p8=gr.Slider(-3,3,value=0,step=0.1,label="CKB")
|
| 832 |
+
p9=gr.Slider(-3,3,value=0,step=0.1,label="NNMT")
|
| 833 |
+
p10=gr.Slider(-3,3,value=0,step=0.1,label="CACNA2D2")
|
| 834 |
+
b7=gr.Button("Classify", variant="primary")
|
| 835 |
+
o7t=gr.HTML()
|
| 836 |
+
o7p=gr.Image(label="Feature contributions")
|
| 837 |
+
gr.Examples([[2,2,1.5,1.8,1.6,-1,-1.2,-0.8,1.4,-1.1],[0]*10],
|
| 838 |
+
inputs=[p1,p2,p3,p4,p5,p6,p7,p8,p9,p10])
|
| 839 |
+
b7.click(predict_cancer, [p1,p2,p3,p4,p5,p6,p7,p8,p9,p10], [o7t,o7p])
|
| 840 |
+
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 841 |
with gr.TabItem("S1-E · R1b · Validator 🔶"):
|
| 842 |
gr.HTML(proj_badge("S1-E · R1b", "Protein Panel Validator", "🔶 In progress"))
|
| 843 |
gr.Markdown("> Coming next.")
|
| 844 |
+
|
| 845 |
+
# === S1-F · PHYLO-RARE ===
|
| 846 |
+
# Розкоментовано проблемну вкладку "оце" - DIPG
|
| 847 |
+
with gr.TabItem("S1-F · R1a · DIPG Toolkit"):
|
| 848 |
+
gr.HTML(proj_badge("S1-F · R1a", "DIPG: H3K27M + CSF LNP + Circadian", "PBTA"))
|
| 849 |
+
sort_d = gr.Radio(["Frequency", "Drug status"], value="Frequency", label="Sort by")
|
| 850 |
+
b_dv = gr.Button("Load DIPG Variants", variant="primary")
|
| 851 |
+
o_dv = gr.Dataframe(label="H3K27M co-mutations")
|
| 852 |
+
b_dv.click(dipg_variants, [sort_d], o_dv)
|
| 853 |
+
gr.Markdown("---")
|
| 854 |
+
with gr.Row():
|
| 855 |
+
d_peg = gr.Slider(0.5, 3.0, value=1.5, step=0.1, label="PEG mol%")
|
| 856 |
+
d_size = gr.Slider(60, 150, value=90, step=5, label="Target size (nm)")
|
| 857 |
+
b_dc = gr.Button("Rank CSF Formulations", variant="primary")
|
| 858 |
+
o_dct = gr.Dataframe(label="CSF LNP ranking")
|
| 859 |
+
o_dcp = gr.Image(label="ApoE% in CSF corona")
|
| 860 |
+
b_dc.click(dipg_csf, [d_peg, d_size], [o_dct, o_dcp])
|
| 861 |
+
|
| 862 |
+
# Розкоментовано проблемну вкладку "оце" - UVM
|
| 863 |
+
with gr.TabItem("S1-F · R2a · UVM Toolkit"):
|
| 864 |
+
gr.HTML(proj_badge("S1-F · R2a", "UVM: GNAQ/GNA11 + vitreous + m6A", "TCGA-UVM"))
|
| 865 |
+
b_uv = gr.Button("Load UVM Variants", variant="primary")
|
| 866 |
+
o_uv = gr.Dataframe(label="GNAQ/GNA11 map")
|
| 867 |
+
b_uv.click(uvm_variants, [], o_uv)
|
| 868 |
+
b_uw = gr.Button("Rank Vitreous Formulations", variant="primary")
|
| 869 |
+
o_uwt = gr.Dataframe(label="Vitreous LNP retention ranking")
|
| 870 |
+
o_uwp = gr.Image(label="Retention (hours)")
|
| 871 |
+
b_uw.click(uvm_vitreous, [], [o_uwt, o_uwp])
|
| 872 |
+
|
| 873 |
+
# Розкоментовано проблемну вкладку "оце" - pAML
|
| 874 |
+
with gr.TabItem("S1-F · R3a · pAML Toolkit"):
|
| 875 |
+
gr.HTML(proj_badge("S1-F · R3a", "pAML: FLT3-ITD + BM niche + ferroptosis", "TARGET-AML"))
|
| 876 |
+
var_sel = gr.Dropdown(
|
| 877 |
+
["FLT3-ITD", "NPM1 c.860_863dupTCAG", "DNMT3A p.R882H",
|
| 878 |
+
"CEBPA biallelic", "IDH1/2 mutation"],
|
| 879 |
+
value="FLT3-ITD", label="Select variant"
|
| 880 |
+
)
|
| 881 |
+
b_pf = gr.Button("Analyze Ferroptosis Profile", variant="primary")
|
| 882 |
+
o_pft = gr.HTML()
|
| 883 |
+
o_pfp = gr.Image(label="Target radar")
|
| 884 |
+
b_pf.click(paml_ferroptosis, var_sel, [o_pft, o_pfp])
|
| 885 |
+
|
| 886 |
+
# === S1-G · 3D Lab (НОВА ВКЛАДКА) ===
|
| 887 |
+
with gr.TabItem("🧊 3D Lab"):
|
| 888 |
+
gr.HTML(section_header(
|
| 889 |
+
"S1-G", "PHYLO-SIM", "— 3D Models & Simulations",
|
| 890 |
+
"Interactive visualizations for learning"
|
| 891 |
+
))
|
| 892 |
+
with gr.Tabs(elem_classes="inner-tabs"):
|
| 893 |
+
with gr.TabItem("Nanoparticle"):
|
| 894 |
+
gr.Markdown("### 3D Model of a Lipid Nanoparticle")
|
| 895 |
+
with gr.Row():
|
| 896 |
+
np_radius = gr.Slider(2, 20, value=5, step=1, label="Radius (nm)")
|
| 897 |
+
np_peg = gr.Slider(0, 1, value=0.3, step=0.05, label="PEG density")
|
| 898 |
+
np_btn = gr.Button("Generate", variant="primary")
|
| 899 |
+
np_plot = gr.Plotly(label="Nanoparticle")
|
| 900 |
+
np_btn.click(plot_nanoparticle, [np_radius, np_peg], np_plot)
|
| 901 |
+
|
| 902 |
+
with gr.TabItem("DNA Helix"):
|
| 903 |
+
gr.Markdown("### 3D Model of a DNA Double Helix")
|
| 904 |
+
dna_btn = gr.Button("Generate DNA", variant="primary")
|
| 905 |
+
dna_plot = gr.Plotly()
|
| 906 |
+
dna_btn.click(plot_dna, [], dna_plot)
|
| 907 |
+
|
| 908 |
+
with gr.TabItem("Protein Corona"):
|
| 909 |
+
gr.Markdown("### Schematic of Protein Corona on Nanoparticle")
|
| 910 |
+
corona_btn = gr.Button("Show Corona", variant="primary")
|
| 911 |
+
corona_plot = gr.Plotly()
|
| 912 |
+
corona_btn.click(plot_corona, [], corona_plot)
|
| 913 |
+
|
| 914 |
+
# === Journal (покращений) ===
|
| 915 |
with gr.TabItem("📓 Journal"):
|
| 916 |
gr.Markdown("### Lab Journal")
|
| 917 |
with gr.Row():
|
| 918 |
note_text = gr.Textbox(label="📝 Observation", placeholder="What did you discover?", lines=3)
|
| 919 |
note_tab = gr.Textbox(label="Project code (e.g. S1-A·R1a)", value="General")
|
| 920 |
+
save_btn = gr.Button("💾 Save", variant="primary")
|
| 921 |
+
clear_btn = gr.Button("🗑️ Clear Journal", variant="secondary")
|
|
|
|
|
|
|
| 922 |
refresh_btn = gr.Button("🔄 Refresh")
|
| 923 |
+
journal_display = gr.Markdown(value=load_journal())
|
| 924 |
+
|
| 925 |
+
save_btn.click(save_note, [note_text, note_tab], journal_display)
|
| 926 |
+
refresh_btn.click(load_journal, [], journal_display)
|
| 927 |
+
clear_btn.click(clear_journal, [], journal_display)
|
| 928 |
|
| 929 |
+
# === Learning ===
|
| 930 |
with gr.TabItem("📚 Learning"):
|
| 931 |
gr.Markdown("""
|
| 932 |
## 🧪 Guided Investigations
|
|
|
|
| 937 |
**S1-D · R2a** Flow Corona – compare flow 0 vs 40 cm/s
|
| 938 |
**S1-B · R2a** siRNA – count "Novel" targets across cancer types
|
| 939 |
**S1-E · R1a** Liquid Biopsy – find minimal signal for CANCER
|
| 940 |
+
**S1-G · 3D Lab** – explore nanoparticle, DNA, and protein corona models
|
| 941 |
""")
|
| 942 |
|
| 943 |
gr.Markdown(
|