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| <html lang="en"> | |
| <head> | |
| <meta charset="UTF-8"/> | |
| <meta name="viewport" content="width=device-width, initial-scale=1.0"/> | |
| <title>{% block title %}Drug Discovery Dashboard{% endblock %}</title> | |
| <!-- Fonts --> | |
| <link rel="preconnect" href="https://fonts.googleapis.com"/> | |
| <link href="https://fonts.googleapis.com/css2?family=DM+Mono:wght@300;400;500&family=Syne:wght@400;600;700;800&family=Space+Mono&display=swap" rel="stylesheet"/> | |
| <!-- Plotly --> | |
| <script src="https://cdn.plot.ly/plotly-2.27.0.min.js"></script> | |
| <style> | |
| /* ── CSS Variables ────────────────────────────────────────────── */ | |
| :root { | |
| --bg: #0a0e1a; | |
| --bg2: #0f1424; | |
| --bg3: #141929; | |
| --surface: #1a2035; | |
| --border: #1e2840; | |
| --g1: #00ff88; /* phosphor green */ | |
| --g2: #00ccff; /* electric blue */ | |
| --amber: #ffaa00; | |
| --red: #ff4d6d; | |
| --text: #c8d4f0; | |
| --muted: #6878a0; | |
| --font-mono: 'DM Mono', monospace; | |
| --font-head: 'Syne', sans-serif; | |
| } | |
| /* ── Reset & Base ─────────────────────────────────────────────── */ | |
| *, *::before, *::after { box-sizing: border-box; margin: 0; padding: 0; } | |
| html { scroll-behavior: smooth; } | |
| body { | |
| font-family: var(--font-mono); | |
| background: var(--bg); | |
| color: var(--text); | |
| min-height: 100vh; | |
| display: flex; | |
| overflow-x: hidden; | |
| } | |
| /* ── Hexagonal background texture ────────────────────────────── */ | |
| body::before { | |
| content: ""; | |
| position: fixed; inset: 0; | |
| background-image: url("data:image/svg+xml,%3Csvg xmlns='http://www.w3.org/2000/svg' width='60' height='52'%3E%3Cpolygon points='30,1 59,16 59,46 30,61 1,46 1,16' fill='none' stroke='%231e2840' stroke-width='0.8'/%3E%3C/svg%3E"); | |
| opacity: 0.4; | |
| pointer-events: none; | |
| z-index: 0; | |
| } | |
| /* ── Sidebar ──────────────────────────────────────────────────── */ | |
| .sidebar { | |
| width: 240px; | |
| min-height: 100vh; | |
| background: var(--bg2); | |
| border-right: 1px solid var(--border); | |
| display: flex; | |
| flex-direction: column; | |
| position: fixed; | |
| left: 0; top: 0; | |
| z-index: 100; | |
| padding: 0 0 2rem; | |
| } | |
| .sidebar-brand { | |
| padding: 1.5rem 1.25rem 1rem; | |
| border-bottom: 1px solid var(--border); | |
| } | |
| .brand-icon { | |
| font-size: 2rem; margin-bottom: .25rem; | |
| } | |
| .brand-title { | |
| font-family: var(--font-head); | |
| font-size: 0.95rem; | |
| font-weight: 800; | |
| color: var(--g1); | |
| letter-spacing: 0.06em; | |
| text-transform: uppercase; | |
| line-height: 1.2; | |
| } | |
| .brand-sub { | |
| font-size: 0.65rem; | |
| color: var(--muted); | |
| letter-spacing: 0.1em; | |
| text-transform: uppercase; | |
| margin-top: 2px; | |
| } | |
| .sidebar-section { | |
| padding: .75rem 1rem .25rem; | |
| font-size: .6rem; | |
| color: var(--muted); | |
| letter-spacing: .12em; | |
| text-transform: uppercase; | |
| } | |
| .nav-link { | |
| display: flex; | |
| align-items: center; | |
| gap: .6rem; | |
| padding: .55rem 1.25rem; | |
| color: var(--text); | |
| text-decoration: none; | |
| font-size: .8rem; | |
| border-left: 3px solid transparent; | |
| transition: all .2s; | |
| } | |
| .nav-link:hover { | |
| background: var(--surface); | |
| color: var(--g1); | |
| border-left-color: var(--g1); | |
| } | |
| .nav-link.active { | |
| background: rgba(0,255,136,.06); | |
| color: var(--g1); | |
| border-left-color: var(--g1); | |
| } | |
| .nav-icon { font-size: 1rem; opacity: .85; } | |
| .sidebar-footer { | |
| margin-top: auto; | |
| padding: 1rem 1.25rem; | |
| border-top: 1px solid var(--border); | |
| font-size: .65rem; | |
| color: var(--muted); | |
| } | |
| .status-dot { | |
| display: inline-block; | |
| width: 6px; height: 6px; | |
| border-radius: 50%; | |
| background: var(--g1); | |
| box-shadow: 0 0 6px var(--g1); | |
| margin-right: 4px; | |
| animation: pulse 2s infinite; | |
| } | |
| @keyframes pulse { | |
| 0%,100% { opacity: 1; } | |
| 50% { opacity: .3; } | |
| } | |
| /* ── Main content ─────────────────────────────────────────────── */ | |
| .main { | |
| margin-left: 240px; | |
| flex: 1; | |
| padding: 2rem 2rem 3rem; | |
| position: relative; | |
| z-index: 1; | |
| } | |
| /* ── Page header ──────────────────────────────────────────────── */ | |
| .page-header { | |
| margin-bottom: 1.75rem; | |
| border-bottom: 1px solid var(--border); | |
| padding-bottom: 1rem; | |
| } | |
| .page-header h1 { | |
| font-family: var(--font-head); | |
| font-size: 1.6rem; | |
| font-weight: 800; | |
| color: #fff; | |
| } | |
| .page-header .sub { | |
| font-size: .75rem; | |
| color: var(--muted); | |
| margin-top: 2px; | |
| } | |
| .accent { color: var(--g1); } | |
| .accent2 { color: var(--g2); } | |
| /* ── Cards ────────────────────────────────────────────────────── */ | |
| .card { | |
| background: var(--bg2); | |
| border: 1px solid var(--border); | |
| border-radius: 8px; | |
| padding: 1.25rem; | |
| } | |
| .card-title { | |
| font-family: var(--font-head); | |
| font-size: .8rem; | |
| font-weight: 700; | |
| color: var(--g2); | |
| text-transform: uppercase; | |
| letter-spacing: .08em; | |
| margin-bottom: .75rem; | |
| } | |
| /* ── KPI cards ────────────────────────────────────────────────── */ | |
| .kpi-grid { | |
| display: grid; | |
| grid-template-columns: repeat(auto-fill, minmax(180px, 1fr)); | |
| gap: 1rem; | |
| margin-bottom: 1.5rem; | |
| } | |
| .kpi-card { | |
| background: var(--bg2); | |
| border: 1px solid var(--border); | |
| border-radius: 8px; | |
| padding: 1.1rem 1.2rem; | |
| position: relative; | |
| overflow: hidden; | |
| transition: border-color .2s; | |
| } | |
| .kpi-card::before { | |
| content: ""; | |
| position: absolute; top: 0; left: 0; right: 0; | |
| height: 2px; | |
| } | |
| .kpi-card.green::before { background: var(--g1); } | |
| .kpi-card.blue::before { background: var(--g2); } | |
| .kpi-card.amber::before { background: var(--amber); } | |
| .kpi-card.red::before { background: var(--red); } | |
| .kpi-card:hover { border-color: var(--g1); } | |
| .kpi-label { | |
| font-size: .65rem; | |
| color: var(--muted); | |
| text-transform: uppercase; | |
| letter-spacing: .1em; | |
| margin-bottom: .35rem; | |
| } | |
| .kpi-value { | |
| font-family: var(--font-head); | |
| font-size: 1.8rem; | |
| font-weight: 800; | |
| line-height: 1; | |
| } | |
| .kpi-card.green .kpi-value { color: var(--g1); } | |
| .kpi-card.blue .kpi-value { color: var(--g2); } | |
| .kpi-card.amber .kpi-value { color: var(--amber); } | |
| .kpi-card.red .kpi-value { color: var(--red); } | |
| .kpi-sub { | |
| font-size: .65rem; | |
| color: var(--muted); | |
| margin-top: .3rem; | |
| } | |
| /* ── Grid layouts ─────────────────────────────────────────────── */ | |
| .grid-2 { display: grid; grid-template-columns: 1fr 1fr; gap: 1rem; } | |
| .grid-3 { display: grid; grid-template-columns: 1fr 1fr 1fr; gap: 1rem; } | |
| @media (max-width: 1100px) { .grid-2, .grid-3 { grid-template-columns: 1fr; } } | |
| /* ── Forms ────────────────────────────────────────────────────── */ | |
| .form-group { margin-bottom: 1rem; } | |
| .form-label { | |
| display: block; | |
| font-size: .7rem; | |
| color: var(--g2); | |
| text-transform: uppercase; | |
| letter-spacing: .08em; | |
| margin-bottom: .4rem; | |
| } | |
| .form-input { | |
| width: 100%; | |
| background: var(--bg3); | |
| border: 1px solid var(--border); | |
| border-radius: 5px; | |
| padding: .6rem .9rem; | |
| color: var(--text); | |
| font-family: var(--font-mono); | |
| font-size: .82rem; | |
| outline: none; | |
| transition: border-color .2s, box-shadow .2s; | |
| } | |
| .form-input:focus { | |
| border-color: var(--g1); | |
| box-shadow: 0 0 0 3px rgba(0,255,136,.1); | |
| } | |
| .form-input::placeholder { color: var(--muted); } | |
| .btn { | |
| display: inline-flex; align-items: center; gap: .4rem; | |
| padding: .6rem 1.25rem; | |
| border: none; border-radius: 5px; | |
| font-family: var(--font-mono); font-size: .82rem; | |
| cursor: pointer; text-decoration: none; | |
| transition: all .2s; letter-spacing: .03em; | |
| } | |
| .btn-primary { | |
| background: var(--g1); | |
| color: #0a0e1a; | |
| font-weight: 500; | |
| } | |
| .btn-primary:hover { background: #33ffaa; box-shadow: 0 0 18px rgba(0,255,136,.35); } | |
| .btn-outline { | |
| background: transparent; | |
| color: var(--text); | |
| border: 1px solid var(--border); | |
| } | |
| .btn-outline:hover { border-color: var(--g2); color: var(--g2); } | |
| .btn-sm { padding: .35rem .75rem; font-size: .72rem; } | |
| /* ── Tags ─────────────────────────────────────────────────────── */ | |
| .tag { | |
| display: inline-block; | |
| padding: .15rem .55rem; | |
| border-radius: 3px; | |
| font-size: .65rem; | |
| font-weight: 500; | |
| letter-spacing: .05em; | |
| text-transform: uppercase; | |
| } | |
| .tag-green { background: rgba(0,255,136,.12); color: var(--g1); border: 1px solid rgba(0,255,136,.25); } | |
| .tag-blue { background: rgba(0,204,255,.10); color: var(--g2); border: 1px solid rgba(0,204,255,.2); } | |
| .tag-amber { background: rgba(255,170,0,.1); color: var(--amber); border: 1px solid rgba(255,170,0,.2); } | |
| .tag-red { background: rgba(255,77,109,.1); color: var(--red); border: 1px solid rgba(255,77,109,.2); } | |
| /* ── Traffic lights ───────────────────────────────────────────── */ | |
| .tl-row { display: flex; align-items: center; gap: .6rem; margin-bottom: .5rem; } | |
| .tl-dot { | |
| width: 12px; height: 12px; border-radius: 50%; | |
| flex-shrink: 0; | |
| } | |
| .tl-green { background: var(--g1); box-shadow: 0 0 8px var(--g1); } | |
| .tl-amber { background: var(--amber); box-shadow: 0 0 8px var(--amber); } | |
| .tl-red { background: var(--red); box-shadow: 0 0 8px var(--red); } | |
| /* ── Property table ───────────────────────────────────────────── */ | |
| .prop-table { width: 100%; border-collapse: collapse; font-size: .78rem; } | |
| .prop-table th { | |
| text-align: left; padding: .4rem .6rem; | |
| font-size: .65rem; color: var(--muted); | |
| text-transform: uppercase; letter-spacing: .08em; | |
| border-bottom: 1px solid var(--border); | |
| } | |
| .prop-table td { | |
| padding: .45rem .6rem; | |
| border-bottom: 1px solid rgba(30,40,64,.6); | |
| } | |
| .prop-table tr:last-child td { border-bottom: none; } | |
| .prop-table .val { color: var(--g1); font-weight: 500; } | |
| /* ── Rule assessment ──────────────────────────────────────────── */ | |
| .rule-grid { | |
| display: grid; | |
| grid-template-columns: 1fr 1fr; | |
| gap: .4rem; | |
| } | |
| .rule-item { | |
| display: flex; align-items: center; gap: .4rem; | |
| padding: .35rem .5rem; | |
| border-radius: 4px; | |
| font-size: .72rem; | |
| } | |
| .rule-pass { background: rgba(0,255,136,.06); } | |
| .rule-fail { background: rgba(255,77,109,.06); } | |
| .rule-check { font-size: .9rem; } | |
| /* ── Compound table ───────────────────────────────────────────── */ | |
| .compound-table { width: 100%; border-collapse: collapse; font-size: .75rem; } | |
| .compound-table th { | |
| padding: .5rem .75rem; | |
| text-align: left; font-size: .65rem; | |
| color: var(--muted); text-transform: uppercase; letter-spacing: .08em; | |
| border-bottom: 1px solid var(--border); | |
| background: var(--bg3); | |
| } | |
| .compound-table td { | |
| padding: .5rem .75rem; | |
| border-bottom: 1px solid rgba(30,40,64,.5); | |
| } | |
| .compound-table tr:hover td { background: rgba(255,255,255,.02); } | |
| /* ── Error / alert ────────────────────────────────────────────── */ | |
| .alert { | |
| padding: .75rem 1rem; | |
| border-radius: 6px; | |
| font-size: .8rem; | |
| margin-bottom: 1rem; | |
| } | |
| .alert-error { background: rgba(255,77,109,.1); border: 1px solid rgba(255,77,109,.3); color: var(--red); } | |
| /* ── Example pills ────────────────────────────────────────────── */ | |
| .example-pills { display: flex; flex-wrap: wrap; gap: .4rem; margin-top: .5rem; } | |
| .pill { | |
| padding: .25rem .65rem; | |
| background: var(--bg3); | |
| border: 1px solid var(--border); | |
| border-radius: 20px; | |
| font-size: .7rem; | |
| color: var(--text); | |
| cursor: pointer; | |
| transition: all .15s; | |
| } | |
| .pill:hover { border-color: var(--g2); color: var(--g2); } | |
| /* ── Plotly container ─────────────────────────────────────────── */ | |
| .plotly-wrap { width: 100%; min-height: 280px; } | |
| /* ── Overall score badge ──────────────────────────────────────── */ | |
| .score-badge { | |
| display: flex; align-items: center; justify-content: center; | |
| width: 80px; height: 80px; | |
| border-radius: 50%; | |
| font-family: var(--font-head); | |
| font-size: 1.4rem; font-weight: 800; | |
| border: 3px solid var(--g1); | |
| box-shadow: 0 0 20px rgba(0,255,136,.2); | |
| color: var(--g1); | |
| } | |
| /* ── Scrollbar ────────────────────────────────────────────────── */ | |
| ::-webkit-scrollbar { width: 6px; } | |
| ::-webkit-scrollbar-track { background: var(--bg2); } | |
| ::-webkit-scrollbar-thumb { background: var(--surface); border-radius: 3px; } | |
| ::-webkit-scrollbar-thumb:hover { background: var(--g1); } | |
| /* ── Animations ───────────────────────────────────────────────── */ | |
| @keyframes fadeUp { | |
| from { opacity: 0; transform: translateY(16px); } | |
| to { opacity: 1; transform: translateY(0); } | |
| } | |
| .fade-up { animation: fadeUp .45s ease both; } | |
| .delay-1 { animation-delay: .1s; } | |
| .delay-2 { animation-delay: .2s; } | |
| .delay-3 { animation-delay: .3s; } | |
| .delay-4 { animation-delay: .4s; } | |
| /* ── SVG molecule render ──────────────────────────────────────── */ | |
| .mol-svg { background: var(--bg3); border-radius: 6px; border: 1px solid var(--border); overflow: hidden; } | |
| .mol-svg svg { max-width: 100%; height: auto; } | |
| .mol-placeholder { | |
| display: flex; align-items: center; justify-content: center; | |
| height: 200px; | |
| background: var(--bg3); border: 1px dashed var(--border); border-radius: 6px; | |
| color: var(--muted); font-size: .8rem; | |
| } | |
| </style> | |
| {% block head %}{% endblock %} | |
| </head> | |
| <body> | |
| <!-- ── Sidebar ─────────────────────────────────────────────────────── --> | |
| <nav class="sidebar"> | |
| <div class="sidebar-brand"> | |
| <div class="brand-icon">⬡</div> | |
| <div class="brand-title">MoleSight AI</div> | |
| <div class="brand-sub">Drug Discovery Platform</div> | |
| </div> | |
| <div class="sidebar-section">Overview</div> | |
| <a href="{{ url_for('main.index') }}" | |
| class="nav-link {% if request.endpoint == 'main.index' %}active{% endif %}"> | |
| <span class="nav-icon">📊</span> Dashboard | |
| </a> | |
| <div class="sidebar-section">Analysis</div> | |
| <a href="{{ url_for('main.analyze') }}" | |
| class="nav-link {% if request.endpoint == 'main.analyze' %}active{% endif %}"> | |
| <span class="nav-icon">🔬</span> Molecule Analyzer | |
| </a> | |
| <a href="{{ url_for('prediction.drug_likeness') }}" | |
| class="nav-link {% if request.endpoint == 'prediction.drug_likeness' %}active{% endif %}"> | |
| <span class="nav-icon">🧠</span> Drug-Likeness ML | |
| </a> | |
| <a href="{{ url_for('prediction.admet') }}" | |
| class="nav-link {% if request.endpoint == 'prediction.admet' %}active{% endif %}"> | |
| <span class="nav-icon">🧪</span> ADMET Predictor | |
| </a> | |
| <div class="sidebar-section">Screening</div> | |
| <a href="{{ url_for('screening.screening') }}" | |
| class="nav-link {% if request.endpoint == 'screening.screening' %}active{% endif %}"> | |
| <span class="nav-icon">🎯</span> Virtual Screening | |
| </a> | |
| <div class="sidebar-footer"> | |
| <div><span class="status-dot"></span>Models Active</div> | |
| <div style="margin-top:.3rem">v1.0.0 · Educational Demo</div> | |
| </div> | |
| </nav> | |
| <!-- ── Main ────────────────────────────────────────────────────────── --> | |
| <main class="main"> | |
| {% block content %}{% endblock %} | |
| </main> | |
| <script> | |
| // Inject Plotly charts from server-rendered JSON | |
| function renderPlotly(divId, json) { | |
| if (!json) return; | |
| const fig = JSON.parse(json); | |
| Plotly.newPlot(divId, fig.data, fig.layout, { | |
| responsive: true, | |
| displayModeBar: false, | |
| scrollZoom: false, | |
| }); | |
| } | |
| // Example pill click → fill SMILES input | |
| document.querySelectorAll('.pill[data-smiles]').forEach(pill => { | |
| pill.addEventListener('click', () => { | |
| const inp = document.getElementById('smiles-input'); | |
| if (inp) inp.value = pill.dataset.smiles; | |
| }); | |
| }); | |
| </script> | |
| {% block scripts %}{% endblock %} | |
| </body> | |
| </html> | |