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T5Chem MCP Server

T5Chem MCP Server

by bugatti742
OverviewSchemaSourceRelated ServersDiscussionsAdmin
Python
Local

predict_product

Predict chemical reaction products by providing reactant SMILES and optional reagent SMILES. Returns top predicted product structures.

Tool call template

Replace each placeholder with a value matching the input schema. Only required parameters are included; add optional parameters as needed.

{
  "id": 1,
  "jsonrpc": "2.0",
  "method": "tools/call",
  "params": {
    "arguments": {
      "reactants_smiles": "<reactants_smiles>"
    },
    "name": "predict_product"
  }
}

Input Schema

NameRequiredDescriptionDefault
model_dirNo
num_beamsNo
num_predsNo
reagents_smilesNo
reactants_smilesYes

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observedv0.1.0

TDQS

D1/5.0
Behavior1/5

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

Tool has no description.

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

Conciseness1/5

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

Tool has no description.

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

Completeness1/5

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

Tool has no description.

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

Parameters1/5

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

Tool has no description.

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

Purpose1/5

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

Tool has no description.

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

Usage Guidelines1/5

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

Tool has no description.

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

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