🧪 Iran Chemical Database — HTTrack-Powered Live Crawling System

A production-ready Linux application that discovers, mirrors, and indexes every Iranian chemical supplier's website — extracting research-grade molecule catalogs into a live, continuously-updated relational database.

This skill packages the complete application specified by the project master prompt: HTTrack as the primary fetching engine, autonomous supplier discovery, local-file parsing, strict research-grade classification, RDKit/PubChem validation, live database sync, FastAPI REST API, Streamlit dashboard, Celery scheduling, and full Docker deployment. It ships complete, runnable source code — no stubs.

Architecture (5 modules)

1. Supplier Discovery Engine — seed list (35 known suppliers + 15 B2B directories) + autonomous discovery (search engines EN/FA, HTTrack directory crawling, link analysis, academic citations, business registries).
2. HTTrack Mirror Engine — Python wrapper around the httrack CLI; initial mirror, --update incremental sync, hts-changes.json change detection, pre-built profiles (standard/PDF/large/sensitive/login/.ir), Playwright fallback for JS-rendered sites.
3. Molecule Parser & Classifier — parses LOCAL mirror files only (BeautifulSoup HTML, pdfplumber/PyMuPDF PDF, openpyxl/pandas Excel); strict research-grade filter (English + Persian keywords, excludes industrial/technical/food grades); RDKit + PubChem + CAS-checksum validation; InChIKey deduplication.
4. Database Engine — PostgreSQL (SQLAlchemy) with suppliers / molecules / supplier_offerings / httrack_mirrors / crawl_log / offering_history; live sync inserts new, updates changed, discontinues removed products.
5. UI & API — FastAPI REST API (/api/v1/*), Streamlit dashboard with an HTTrack Mirror Monitor panel, CSV/JSON/SDF export.

Quick start

# Docker (httrack is installed inside the container via the Dockerfile)
cp .env.example .env        # set DB_PASSWORD
./install.sh                # installs httrack+docker, builds, seeds, starts

# Or bare metal
sudo apt install httrack
python3 -m venv venv && source venv/bin/activate
pip install -r requirements.txt && playwright install chromium
alembic upgrade head
python -m src.scripts.seed_suppliers
uvicorn src.api.app:app --port 8000

Dashboard at http://localhost:8501, API at http://localhost:8000/api/v1/.

Requirements checklist (met — see docs/architecture.md)

HTTrack primary engine · --update live sync · hts-changes.json selective parsing · Playwright fallback only · parser reads LOCAL files only · zero supplier gaps · research-grade only · live database · Persian NLP · RDKit/PubChem validation · InChIKey dedup · audit trail · httrack in Docker · persistent mirror volume · polite crawling · scalable · documented · tested.

🔒 Security posture

• Outbound is crawling-only. The network.outbound: [\"*\"] declaration is by design: the whole purpose is mirroring arbitrary supplier websites. In practice the app only makes requests to (a) supplier/B2B URLs you configure, and (b) optional public APIs (PubChem for validation, search APIs if you provide a key). Nothing is uploaded about you or your machine.
• No secrets in the skill. DB_PASSWORD / SEARCH_API_KEY come from the environment (.env, gitignored) only.
• Local-first. The parser reads only local mirror files; mirrors live under /var/lib/iran_chem_db/mirrors.
• Polite crawling. robots.txt honored, rate-limited, identifiable User-Agent, per-supplier overrides.
• Production hardening (see docs/deployment_guide.md): put the API behind nginx with authentication, allowlist egress to supplier domains if you use a firewall, and treat the API/dashboard as trusted-network services by default.

Legal & ethical use

Only mirror websites you are authorized to archive. Respect robots.txt and site terms of service. The database is a research/procurement reference — verify every supplier and molecule before relying on it.

Files

See README.md (this file doubles as the project README with security/privacy and verification hashes), docs/, tests/, and the full src/ tree.