molmim_generate

Generate novel molecules with property optimization using CMA-ES or random sampling. Optimizes for drug-likeness (QED) or partition coefficient (plogP).

Server MolMIM MCP Server siarhei-fedziukovich/mcp-molmim
Category Execute
Risk class High
Parameters 00 required

What molmim_generate does on MolMIM MCP Server

AI agents invoke molmim_generate to trigger actions in MolMIM MCP Server. What it does depends on the arguments the agent supplies, and its effects often reach beyond the immediate call — builds kicked off, notifications sent, workflows started.

Why molmim_generate needs a policy

This tool triggers an external computational operation via the NVIDIA MolMIM API to generate and optimize molecules. It runs optimization algorithms (CMA-ES or random sampling) and produces new outputs, qualifying as Execute. There are no data deletion, financial, or persistent write side-effects involved, and the blast radius is low since it only generates molecular data through an external API call.

From the tool's definition Generate novel molecules with property optimization using CMA-ES or random sampling. Optimizes for drug-likeness (QED) or partition coefficient (plogP).

Questions about molmim_generate

What does the molmim_generate tool do? +

Generate novel molecules with property optimization using CMA-ES or random sampling. Optimizes for drug-likeness (QED) or partition coefficient (plogP). It is categorised as a Execute tool in the MolMIM MCP Server MCP Server, which means it can trigger actions or run processes. Use rate limits and argument validation.

How do I enforce a policy on molmim_generate? +

Register the MolMIM MCP Server MCP server in PolicyLayer and add a rule for molmim_generate: allow, deny, rate-limit, or require approval. Point your MCP client at the PolicyLayer proxy URL and the rule is enforced on every call, before it reaches MolMIM MCP Server. Nothing to install.

What risk level is molmim_generate? +

molmim_generate is a Execute tool with high risk. Execute tools should be rate-limited and have argument validation enabled.

Can I rate-limit molmim_generate? +

Yes. Add a rate_limit block to the molmim_generate rule in your PolicyLayer policy. For example, setting max: 10 and window: 60 limits the tool to 10 calls per minute. Rate limits are tracked per agent session and reset automatically.

How do I block molmim_generate completely? +

Set action: deny in the PolicyLayer policy for molmim_generate. The AI agent will receive a policy violation error and cannot call the tool. You can also include a reason field to explain why the tool is blocked.

What MCP server provides molmim_generate? +

molmim_generate is provided by the MolMIM MCP Server MCP server (siarhei-fedziukovich/mcp-molmim). PolicyLayer sits as a proxy in front of this server to enforce policies before tool calls reach the server.

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