Prepare, launch, monitor, and summarize the real RFdiffusion to ProteinMPNN to Protenix antibody pipeline on a local or remote ScienceDiscovery Runner with sandboxed Ascend NPUs.
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Use this skill when you need to write and execute Python/R code to process, transform, and analyze data, delivering reproducible computational results with complete code-level methodology documentation. Supports statistical analysis, data transformation, visualization, method justification, and structured result output.
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This skill writes and executes Python/R code to process, transform, and analyze data, delivering reproducible computational results with complete code-level methodology documentation. It focuses on code-level fidelity, computational result completeness, and methodology transparency.
Always load this skill when:
If you need to install new Python packages, install them through the Tsinghua PyPI mirror for reliability:
pip install [python package] -i https://pypi.tuna.tsinghua.edu.cn/simple
Identify what the analysis task requires:
The complete frozen package is already available read-only at
$SCIENCEDISCOVERY_SKILLS_DIR/code-engineer when the execution sandbox starts. Invoke
scripts/execute.py directly from that fixed package path and pass requested data paths and options as arguments. Do not load this large script into context, copy or rewrite it, search the filesystem for another copy, or execute it until the workflow requires an explicit inspect or run action.
Before writing analysis code, inspect the data to understand its schema and characteristics:
python "$SCIENCEDISCOVERY_SKILLS_DIR/code-engineer/scripts/execute.py" \
--action inspect \
--files /path/to/data.xlsx
This returns:
Based on the analysis objectives and data schema, write Python/R code to perform the analysis.
python "$SCIENCEDISCOVERY_SKILLS_DIR/code-engineer/scripts/execute.py" \
--action run \
--language python \
--code-file /path/to/workspace/analysis_step1.py \
--files /path/to/data.xlsx \
--output-file /path/to/outputs/analysis_results.json
python "$SCIENCEDISCOVERY_SKILLS_DIR/code-engineer/scripts/execute.py" \
--action run \
--language r \
--code-file /path/to/workspace/analysis_step1.R \
--files /path/to/data.xlsx \
--output-file /path/to/outputs/analysis_results.json
python "$SCIENCEDISCOVERY_SKILLS_DIR/code-engineer/scripts/execute.py" \
--action run \
--language python \
--code "import pandas as pd; df = pd.read_excel('/path/to/data.xlsx'); print(df.describe())" \
--output-file /path/to/outputs/summary_stats.csv
Structure your output per the Output Schema below. Ensure every result includes method justification, data traceability, assumptions, and code-level documentation.
When results may be evaluated downstream (e.g., by the result-evaluator skill), present a Result Package that includes both structured data AND methodology documentation. The --output-file exports only tabular data; the agent must also provide the following in conversation:
| Parameter | Required | Description |
|---|---|---|
--action | Yes | One of: inspect, run |
--language | For run | python or r |
--code | For run | Inline code string to execute |
--code-file | For run | Path to a Python/R script file to execute |
--files | No | Space-separated paths to data files (loaded into execution context) |
--output-file | No | Path to export results (CSV/JSON/MD). If the code assigns a DataFrame to result, it is exported as structured tabular data; otherwise raw stdout/stderr is exported |
[!NOTE] Do NOT read or copy the Python file. Call its fixed read-only package path with the parameters.
When using --files, each data file is automatically loaded into the execution context as a variable:
sales_2024.xlsx → sales_2024), loaded via pd.read_excel() in Python or read_excel() in Rdata.csv → data), loaded via pd.read_csv() in Python or read.csv() in Rt_ (e.g., 2024_data.csv → t_2024_data)Task: "Analyze the correlation between variable X and Y in dataset.csv, and test whether the correlation is statistically significant."
python "$SCIENCEDISCOVERY_SKILLS_DIR/code-engineer/scripts/execute.py" \
--action inspect \
--files /path/to/dataset.csv
python "$SCIENCEDISCOVERY_SKILLS_DIR/code-engineer/scripts/execute.py" \
--action run \
--language python \
--code-file /path/to/workspace/correlation_analysis.py \
--files /path/to/dataset.csv \
--output-file /path/to/outputs/correlation_results.json
Where correlation_analysis.py contains:
import pandas as pd
from scipy import stats
data = pd.read_csv('/path/to/dataset.csv')
corr, p_value = stats.pearsonr(data['X'], data['Y'])
print(f"Pearson correlation: r={corr:.4f}, p={p_value:.6f}")
print(f"Sample size: n={len(data)}")
print(f"X stats: mean={data['X'].mean():.2f}, std={data['X'].std():.2f}")
print(f"Y stats: mean={data['Y'].mean():.2f}, std={data['Y'].std():.2f}")
Return structured results with method justification, assumptions, limitations, and code documentation.
After code execution:
present_files toolWhen using --output-file, the script attempts to detect structured results automatically:
result, the script captures it as structured tabular data and exports columns + rows properly[{col: val, ...}]| formattingresult variable is found, the export falls back to raw stdout/stderr textTip: To get structured output, simply assign your final DataFrame to result:
result = df.groupby('category').agg({'amount': 'sum'}).reset_index()
Caching applies only to --action inspect. The script stores loaded DuckDB tables to avoid re-parsing files on every inspect call:
<tempdir>/.code-engineer-cache/Note: --action run does not use this cache. The Python (pandas) and R (readxl/read.csv) subprocesses re-read the data files on every invocation. If you want run-time caching for an analysis pipeline, cache results yourself and reuse them.
For analyses where result quality matters, use the result-evaluator skill to evaluate output reliability and methodological rigor. This is especially recommended when:
To evaluate: load /mnt/skills/custom/result-evaluator/SKILL.md and provide the full Result Package (structured data + methodology documentation + data traceability + analysis code) as evaluation input.
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Prepare, launch, monitor, and summarize the real RFdiffusion to ProteinMPNN to Protenix antibody pipeline on a local or remote ScienceDiscovery Runner with sandboxed Ascend NPUs.
中文简介正在准备中。当前显示原文说明。
Independent multi-dimensional assessor for material design candidates. Loads configurable scoring rubrics to evaluate candidates from different expert perspectives. Each dispatch produces structured scores, pros/cons, and verification data without sharing results with other assessors.
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Read, diagnose, and change the CI pipeline: GitHub Actions on pull requests, the merge queue, the nightly schedule and the release tag. Use when a job fails, when editing .github/workflows/, when asking which layer runs what, when reproducing a pipeline failure locally, or when a job needs the bubblewrap sandbox. Running the layers before proposing a change, and reading the result a proposal receives, belong to create-github-pr.
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Verify cited paper identity and decide whether claims in an Artifact are supported by their linked Evidence using a governed source snapshot.
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Check whether numeric claims marked with Evidence aliases in an Artifact agree with the linked Evidence content and context.
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Open or update a pull request on GitHub's openJiuwen-ai/sciencediscovery: run the UT/ST/E2E layers locally, push the branch to the operator's own GitHub fork, write a body that says what was verified with numbers, apply exactly one release:* label so the release note can classify it, then read the pull request and its Actions run back. Use when asked to create a PR, submit a change for review, when a branch is ready to propose, when labelling a pull request for the release note, or when reading a GitHub Actions result on a pull request. This is the only path for proposing a change: gitcode.com is a read-only mirror with no pipeline of its own. Titles and bodies are English. For filing an issue, or for the gh commands this procedure assumes, read the github skill first.
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