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frankmtetwa

thermophysical-curator

by frankmtetwa

assess_jrmpnn_training_similarity

Measure how closely a molecule's SMILES matches a property's private JR-MPNN training set using mean Euclidean distance to the 10 nearest embeddings, without exposing private training data.

Instructions

Assess similarity to a property's private JR-MPNN training embeddings.

Uses mean Euclidean distance to the 10 nearest graph embeddings. Private Training SMILES, embeddings, and reference identifiers are never returned.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
smilesYes
property_nameYes

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault

No arguments

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observedv0.2.1

TDQS

B3.2/5.0
Behavior4/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

With no annotations, the description carries the full burden and does disclose meaningful behavior: the similarity metric (mean Euclidean distance to the 10 nearest graph embeddings) and the privacy guarantee that private SMILES, embeddings, and reference identifiers are never returned. It omits permissions, cost, and output interpretation, but the algorithmic and privacy disclosure is notably richer than most.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness4/5

Is the description appropriately sized, front-loaded, and free of redundancy?

Two short paragraphs that are front-loaded with the core purpose, followed by the method and privacy note. Efficient and free of filler, though the line break splits a single idea across paragraphs.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness3/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

An output schema exists, so return-value explanation is not required, and the description usefully covers the method and privacy posture. However, with zero parameter documentation and no annotations, it leaves the agent without guidance on what property_name accepts or what the similarity score means.

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters2/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

Schema description coverage is 0% with two required parameters, so the description must compensate and largely does not. 'property_name' is only weakly implied via 'a property's ... training embeddings,' and 'smiles' receives no explanation at all, leaving validation and format details undocumented.

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose4/5

Does the description clearly state what the tool does and how it differs from similar tools?

The description states a specific verb and resource: 'Assess similarity to a property's private JR-MPNN training embeddings.' An agent can distinguish this as a similarity-assessment tool rather than a prediction tool, though it never names or contrasts the sibling predict_jrmpnn. Clear, but no explicit sibling differentiation.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines2/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

The description explains what the tool does but gives no when-to-use guidance, no prerequisites, and no comparison to alternatives like predict_jrmpnn or estimate_umansysprop. The agent must infer the appropriate context entirely.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.