General Workflow Planner

SkillDev tools

Hierarchically decompose high-level scientific workflows (from literature or user-proposed) into executable sequences of existing SKILLs and MCP tools for the research plan.

Available today. Use it from your connected AI after setup.

Connect ahel once, and every AI you use reads what you have installed.

Then ask your AI: use the General Workflow Planner skill

What this skill tells your AI

The instructions your AI receives, as published by learningmatter-mit/atomisticskills in .agents/skills/general-workflow-planner/SKILL.md and read by ahel’s review.

Goal

To decompose high-level scientific workflows (either sourced from literature or proposed directly by the user) into a concrete, executable sequence. This skill parses the objective and outputs a chronological "Detailed Action Plan" that feeds directly into the research_plan.md artifact, in accordance with .agents/rules/research-standards.md. Do not overcomplicate the output; it should be a straightforward list of steps.

Prerequisites

  • A high-level scientific workflow proposed by the user or derived from literature review.
  • Access to the .agents/skills/ registry and available MCP tools.

Instructions

  1. Objective Parsing Analyze the high-level workflow to determine the key scientific steps (e.g., Structure Generation $\rightarrow$ Relaxation $\rightarrow$ Stability $\rightarrow$ Dynamics).

  2. Skill Registry Mapping Scan the repository's capabilities. Map each conceptual step to existing project tools by searching the .agents/skills/ directory and available MCP tools (e.g., mcp_mace_run_md, mcp_matgl_relax_structure).

  3. Dependency Construction Map the dependencies between the identified SKILLs and MCP tools:

    • Identify data dependencies: The output of Step A must act as the input for Step B (e.g., the mat-db-mp skill outputs a .cif, which serves as the input for the mcp_mace_relax_structure MCP tool).
    • Identify parallelization opportunities if applicable.
  4. Feasibility Analysis

    • Verify that there is a continuous line of data flowing from the initial state to the target objective using only existing tools.
    • If missing steps exist, flag them explicitly so the user knows where custom scripting or new skills are required.
  5. Detailed Action Plan Generation Output a concrete, chronological list of steps required to execute the workflow. List the proposed hyperparameters for each SKILL and MCP tool (e.g., temperature, steps, supercell_min_length). This list is directly inserted into the Detailed Action Plan section of research_plan.md.

Examples

For an example of decomposing a high-level goal into a Detailed Action Plan using existing skills and MCP tools, see the Solid-State Electrolyte Discovery example.

Constraints

  • Skill Hallucination: NEVER invent or hallucinate skill names. Every step must map to a verifiable directory inside .agents/skills/ or a documented MCP tool.
  • Simplicity: Do not overcomplicate the output. Produce a linear or simple branching Action Plan suited for research_plan.md.

See Also


Author: Bowen Deng Contact: GitHub @learningmatter-mit

Signals

GitHub stars
164
Forks
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Last commit
Sep 2026
Advanced
Catalog kind
skill
Gateway key
general-workflow-planner
Source
github.com/learningmatter-mit/atomisticskills