Chemlytic

About

Chemlytic is a high-utility, pre-revenue software asset built for computational chemists running quantum simulations via the ORCA package. The platform eliminates the manual, time-consuming bottleneck of writing custom scripts or digging through thousands of lines of raw text in .out files. Key Features: • Automated ORCA Ingestion: Drag-and-drop file parser instantly extracts HOMO–LUMO gaps, final energy, thermochemistry, dipole moments, and convergence metrics. • AI Diagnostics (GPT-4o): Streams plain-English summaries via SSE. Failed runs get immediate, code-level input fixes. • Turnkey Exporting: Server-side PDF and CSV report engines for academic logs. Architecture: A fully-typed TypeScript monorepo (pnpm workspaces) built with React (Vite/Tailwind) and Node.js/Express. Uses Drizzle ORM/PostgreSQL, runtime contract validation via Zod, and automated client structures via Orval. Fully containerized with Docker Compose for absolute plug-and-play deployment.