com.covasyn/chemistry
Deterministic MCP for AI agents: drug discovery, ADMET, docking, LNPs, DoE, retrosynthesis, ICH M7
Open source Repository Open in the app JSON README (API)
About
Deterministic MCP for AI agents: drug discovery, ADMET, docking, LNPs, DoE, retrosynthesis, ICH M7
Details
- Kind
- MCP servers
- Topic
- No topic detected
- Publisher
- com.covasyn
- Origin
- official
- Category
- ferramentas
- Transport
- http
- Version
- 1.29.0
- Last push
- 2026-07-31T07:45:55Z
- Repository state
- ativo
- Language
- JavaScript
- License
- MIT
- Added
- 2026-08-29 03:01:04
- Updated
- 2026-08-29 03:01:04
- Origin id
com.covasyn/chemistry
README
# CovaSyn MCP Examples Production-ready integration snippets for connecting [CovaSyn](https://www.covasyn.com) — 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](https://www.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 | `claude_desktop_config.json` snippet | | [cursor/](./cursor/) | Cursor IDE | `.cursor/mcp.json` snippet | | [vscode/](./vscode/) | VS Code with MCP extension | `settings.json` snippet | | [python-agent/](./python-agent/) | Custom Python agent | minimal stdio-MCP client | | [typescript-agent/](./typescript-agent/) | Custom TypeScript agent | minimal MCP TS client | | [curl/](./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](https://www.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 →](https://www.covasyn.com/en/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 →](https://www.covasyn.com/en/trust) ## License The example snippets in this repository are released under the [MIT License](./LICENSE) — use, modify, and redistribute freely. CovaSyn itself is commercial software. See [covasyn.com](https://www.covasyn.com) for terms. ## Contributing PRs welcome. See [CONTRIBUTING.md](./CONTRIBUTING.md). ## Comparison How CovaSyn compares to other chemistry MCP options: - [vs Aichemy (Databricks)](https://www.covasyn.com/en/comparison/aichemy) - [vs ChemMCP](https://www.covasyn.com/en/comparison/chemmcp) - [vs DIY Python](https://www.covasyn.com/en/comparison/diy-python) - [vs OpenChem MCP](https://www.covasyn.com/en/comparison/openchem-mcp)