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{% extends 'base.html' %}
{% block main %}
<h2>Curie Web Demo</h2>
<p>Curie-Web is a part of The Curie Project which aims to make the process of Computer-Aided Drug Design as fast as possible.</p>
<p>The following are the currently active modules</p>
<h3>Docking</h3>
<ul>
<li><a href="{{ url_for('dock_upload') }}">Dock and Report (Manual)</a> - You can enter your AutoDock Vina configuration, upload the PDBQT files and it will perform the molecular docking and generate a PDF with proper visualisations and protein-interaction profillings (Using PLIP) </li>
<li><a href="{{ url_for('dock_upload_single') }}">Dock and Report (Automatic)</a> - You just enter in the PDB Code, target compound's SMILES structure and name, it will automatically find a binding location and then perform docking and report generation</li>
</ul>
<h3>Drug Designing</h3>
<ul>
<li><a href="{{ url_for('generate') }}">Generate</a> - You can use this to generate completely new compounds</li>
</ul>
<h3>Researching</h3>
<ul>
<li><a href="{{ url_for('pubmed') }}">PubMed Search</a> - Handy PubMed search with direct download links</li>
<li>Qrious App - You can enter a question for a set of papers (e.g. ChemRxiv preprints) and it uses AI to answer it for each individual paper based on their abstract</li>
</ul>
<h3>Misc.</h3>
<ul>
<li>API - <a href="/docs">Swagger UI</a> or <a href="/redoc">ReDoc</a> - API access for the server</li>
<li><a href="{{url_for('generate_pdbqts')}}">Generate PDBQTs</a> - Generate PDBQTs for your compounds or proteins</li>
<li><a href="{{url_for('editor')}}">Editor</a> - Simple Molecular Editor powered by Kekule.js</li>
<li><a href="{{ url_for('status')}}">Job Status</a> - Check the job status </li>
<li><a href="{{ url_for('visualise')}}">Visualise</a> - Molecular Viewer </li>
</ul>
<img src="{{url_for('static',filename='assets/workingInALaboratory.svg')}}" />
{% endblock %}
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