--- name: general-workflow-planner description: Hierarchically decompose high-level scientific workflows (from literature or user-proposed) into executable sequences of existing SKILLs and MCP tools for the research plan. metadata: category: [general] venv: [mlip] --- # General Workflow Planner > [!NOTE] > Steps written `server.tool` are MCP tool calls: `mace.run_md` is the `run_md` > tool of the `mace` server (`mcp__mace__run_md`, or > `mcp__plugin_atomistic-skills_mace__run_md` when installed as a plugin). > Without a connected server, run the same tools from the shell. Tools named in > one command share a process, so a model loaded by `load_model` stays loaded: > > ```bash > ${CLAUDE_SKILL_DIR}/../../venv/run mlip python -m src.mcp_server.cli mace run_md key=value relax_structure key=value > ${CLAUDE_SKILL_DIR}/../../venv/run mlip python -m src.mcp_server.cli matgl relax_structure key=value > ``` ## 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 `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 `skills/` directory and available MCP tools (e.g., `mace.run_md`, `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 `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](examples/sse-discovery/README.md) example. ## Constraints - **Skill Hallucination**: NEVER invent or hallucinate skill names. Every step must map to a verifiable directory inside `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 - [general-deep-research](../general-deep-research/SKILL.md) - [general-peer-review](../general-peer-review/SKILL.md) --- **Author:** Bowen Deng **Contact:** [GitHub @learningmatter-mit](https://github.com/learningmatter-mit)