SciAgentKit
Provides deterministic, reproducible tools for drug discovery, including molecule analysis, docking, molecular dynamics, and report generation, with signed manifests.
Launch screenshots from Product Hunt, Jul 2026
A toolkit that provides AI agents with deterministic tools for drug discovery, including molecule analysis, docking, molecular dynamics, and report generation, preventing AI from inventing numbers. It targets developers and researchers in pharmaceutical and biotech settings, from individual researchers to entire labs. The product is delivered as an API and MCP server that integrates with AI assistants like Claude, Cursor, Gemini, and Codex, and can be run air-gapped for security.
Key features
- Canonicalization and descriptors (MW, logP, QED, TPSA)
- Scaffold diversity and novelty audits
- UniProt resolution and PDB ranking
- Mutation-aware alignment and coverage scoring
- Pocket detection (crystal-ligand, fpocket, P2Rank)
- Vina/GNINA/smina docking with ranked poses
- OpenMM job setup with solvation and ions
- Trajectory RMSD/RMSF and ProLIF interaction analysis
- Professional Markdown/PDF/DOCX reports
- Reproducibility manifest with hashed inputs
- Licensed, offline-verifiable, audit-ready
- No social media activity within the last 30 days
GTM channels
- No GTM activity detected
ICP
- Software developers
- Data analytics teams
- Startups