Chemistry

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, compare
• covatox — toxicology with ICH M7 batch assessment, Tox21, CYP450
• covams — mass spectrometry (formula, fragments, impurities, RT)
• covanmr — NMR analysis (1D, 2D, batch, identification)
• covafold — protein and RNA folding, binding sites
• covabio — antibody, peptide, ADC, mRNA, oligo, siRNA
• covaplatform — 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)

See pricing →

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.

See compliance details →

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:

• vs Aichemy (Databricks)
• vs ChemMCP
• vs DIY Python
• vs OpenChem MCP