The full upstream README, mirrored here for reference. Install config, tool schemas, adoption signals, and an original overview live on the Chemistry listing page.
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.
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.
CovaSyn is not another LLM. It's the deterministic tool layer that fixes the chemistry-hallucination problem of frontier LLMs.
| 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 |
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, dockingFull tool reference: covasyn.com/en/mcp
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.
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.
PRs welcome. See CONTRIBUTING.md.
How CovaSyn compares to other chemistry MCP options: