pubchempy-mcp-server

pubchempy-mcp-server is an MCP server wrapper for PubChemPy, exposing PubChem-related operations as MCP tools so an agent can query/lookup chemical information via the MCP protocol.

Evaluated Apr 04, 2026 (0d ago)
Homepage ↗ Ai Ml ai-ml mcp pubchem chemistry tooling data-enrichment
⚙ Agent Friendliness
48
/ 100
Can an agent use this?
🔒 Security
43
/ 100
Is it safe for agents?
⚡ Reliability
30
/ 100
Does it work consistently?

Score Breakdown

⚙ Agent Friendliness

MCP Quality
62
Documentation
45
Error Messages
0
Auth Simplicity
90
Rate Limits
20

🔒 Security

TLS Enforcement
70
Auth Strength
30
Scope Granularity
10
Dep. Hygiene
50
Secret Handling
60

Security depends heavily on how the MCP server is deployed (network exposure, TLS termination, logging). Auth/scope controls are likely minimal or external to the MCP server. Upstream calls to PubChem should be performed with outbound network controls and care to avoid logging sensitive query data.

⚡ Reliability

Uptime/SLA
0
Version Stability
50
Breaking Changes
50
Error Recovery
20
AF Security Reliability

Best When

You want to integrate PubChemPy capabilities into an MCP-compatible agent with minimal custom plumbing, and you can run/trust the MCP server deployment.

Avoid When

You need strict SLAs, documented retry/idempotency semantics, or the package is deployed without observing/handling upstream rate limits from PubChem.

Use Cases

  • Agentic workflows that need PubChem lookups (compound name/CID search, property retrieval).
  • Enriching chemical datasets with PubChem metadata.
  • Building internal research assistants that query chemical identifiers and properties.

Not For

  • High-throughput production ingestion pipelines without explicit rate-limit/backoff strategy.
  • Use cases requiring strong guarantees on data provenance/versioning beyond what PubChem provides.
  • Security-sensitive environments where outbound access to PubChem cannot be controlled/monitored.

Interface

REST API
No
GraphQL
No
gRPC
No
MCP Server
Yes
SDK
No
Webhooks
No

Authentication

OAuth: No Scopes: No

No package-specific auth details were provided. MCP deployments often run locally or behind your own access controls; upstream PubChem usage typically does not require OAuth-style auth for basic requests.

Pricing

Free tier: No
Requires CC: No

No pricing information provided; assumes no commercial hosting cost beyond your own infrastructure and PubChem usage constraints.

Agent Metadata

Pagination
none
Idempotent
False
Retry Guidance
Not documented

Known Gotchas

  • Upstream PubChem endpoints may impose rate limits; MCP wrapper behavior and backoff strategy may not be documented.
  • Large result sets may require pagination/limits; the MCP tool contract may not expose fine-grained control.
  • Network timeouts or transient upstream failures may surface as tool errors without clear retry guidance.

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Scores are editorial opinions as of 2026-04-04.

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