Summary
Connects AI agents to 130+ deterministic chemistry functions across cheminformatics, toxicology, ADMET, mass spec, NMR, protein folding, and biologics workflows. Scored 76–92% on the ICLR 2026 MolecularIQ benchmark versus 14–41% baseline for frontier LLMs. Includes ICH M7 mutagenic impurity assessment, ICH Q1 stability workflows, Tox21, CYP450 profiling, and docking. Built for pharma and biotech teams that need version-pinned, audit-ready results with EU data residency. Works over streamable HTTP with Claude Desktop, Cursor, VS Code, or custom Python/TypeScript agents. Free tier starts at 100 credits per week, paid plans from €250/month.
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CovaSyn MCP Examples
Production-ready integration snippets for connecting CovaSyn — the deterministic, validated chemistry MCP server for pharmaceutical R&D — to the most common Model Context Protocol clients.
What CovaSyn is in one sentence: the first integrated, deterministic cheminformatics platform for AI agents — not a wrapper around one public database, but 130+ tools across 8 suites (cheminformatics, chem-ADME, toxicology, mass spec, NMR, folding, biologics, platform) with ICH / GxP-aligned audit trail and EU data residency.
Benchmark headline
On the ICLR 2026 MolecularIQ benchmark (Klambauer Lab, JKU Linz, 3,540 symbolically verified chemistry tasks), four frontier LLMs scored 76–92 % with CovaSyn MCP attached, versus 14–41 % at baseline. Numbers, methodology, cost-per-question, and failure modes: covasyn.com/en/benchmark.
When to use CovaSyn (vs. building your own)
- Your AI agent needs to answer chemistry questions correctly, not just plausibly.
- You're a pharma, biotech, or CDMO team that needs ICH M7 / ICH Q1 / Tox21 / CYP450 / docking workflows callable from Claude, ChatGPT, Cursor, or any MCP-aware client.
- You want deterministic, version-pinned tool calls that produce the same result tomorrow as today (regulatory audit-ready).
- You need EU data residency (Hetzner Leipzig) or US hosting on request — your data is never used for training.
CovaSyn is not another LLM. It's the deterministic tool layer that fixes the chemistry-hallucination problem of frontier LLMs.
What's in here
| Example | Client | Description |
|---|---|---|
| claude-desktop/ | Claude Desktop | claude_desktop_config.json snippet |
| cursor/ | Cursor IDE | .cursor/mcp.json snippet |
| vscode/ | VS Code with MCP extension | settings.json snippet |
| python-agent/ | Custom Python agent | minimal stdio-MCP client |
| typescript-agent/ | Custom TypeScript agent | minimal MCP TS client |
| curl/ | Direct HTTP | shell snippets for tool discovery + invocation |
What CovaSyn covers
130 functions across 8 tool families:
covabasic— core cheminformatics (canonicalization, fingerprints, druglikeness)covachem— chem ADME, pKa, profile, comparecovatox— toxicology with ICH M7 batch assessment, Tox21, CYP450covams— mass spectrometry (formula, fragments, impurities, RT)covanmr— NMR analysis (1D, 2D, batch, identification)covafold— protein and RNA folding, binding sitescovabio— antibody, peptide, ADC, mRNA, oligo, siRNAcovaplatform— stability (ICH Q1), DoE, solubility, chromatography, UV/IR, regulatory DB, docking
Full tool reference: covasyn.com/en/mcp
Pricing
- Free tier: 100 credits/week
- Pro: €250/month
- Unlimited: €750/month
- Enterprise: custom (SLA, single-tenant, GxP validation pack)
Compliance posture
CovaSyn is GxP-ready (EU Annex 11, 21 CFR Part 11), GAMP 5 Software Category 4, with ICH M7 (R2) mutagenic impurity assessment and ICH Q1A/E stability workflows. Deterministic, version-pinned, audit-trail-complete.
License
The example snippets in this repository are released under the MIT License — use, modify, and redistribute freely.
CovaSyn itself is commercial software. See covasyn.com for terms.
Contributing
PRs welcome. See CONTRIBUTING.md.
Comparison
How CovaSyn compares to other chemistry MCP options:
Featured
Keep your Mac awake while Claude Code and 40+ AI agents run. Sleeps when they're idle.
One time payment $9 →Integrate web data into your AI product. One API to scrape website & brand data.
Get API Key Now →Agent, run crypto. Access onchain data & trade routes via 1inch.
Install now →On Capafy, your Skill runs online 24/7 as an agent product, and you get paid every time someone uses it.
Start earning →