Agent skill

Chemical Structure Analysis

Analyze chemical structures from compound names to retrieve SMILES, molecular formulas, molecular weight, and LogP values.

MITAuto-check passedResearch & Science

Install Chemical Structure Analysis

skills CLI

$ npx skills add InternScience/scp --skill chemical-structure-analysis -a claude-code

Project install by default; add -g for ~/.claude/skills/.

GitHub CLI

$ gh skill install InternScience/scp chemical-structure-analysis --agent claude-code

Project scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).

Manual copy

$ git clone --depth 1 https://github.com/InternScience/scp.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/chemical-structure-analysis .claude/skills/chemical-structure-analysis && rm -rf skills-src

Use ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.

Claude Code skills documentation · loads skills from .claude/skills/

Paste into Claude Code

Install the "chemical-structure-analysis" agent skill from https://github.com/InternScience/scp/tree/main/skills/chemical-structure-analysis into .claude/skills/chemical-structure-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "chemical-structure-analysis", then confirm the skill loads.

Claude Code copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

$skill-installer

$skill-installer install https://github.com/InternScience/scp/tree/main/skills/chemical-structure-analysis

Type this inside Codex. $skill-installer <name> installs a curated skill from openai/skills. The installer writes to $CODEX_HOME/skills (default ~/.codex/skills). Restart Codex if the skill does not show up.

skills CLI

$ npx skills add InternScience/scp --skill chemical-structure-analysis -a codex

Project install goes to .agents/skills/; add -g for ~/.codex/skills/.

GitHub CLI

$ gh skill install InternScience/scp chemical-structure-analysis --agent codex

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/InternScience/scp.git skills-src && mkdir -p .agents/skills && cp -r skills-src/skills/chemical-structure-analysis .agents/skills/chemical-structure-analysis && rm -rf skills-src

Use ~/.agents/skills/ instead of .agents/skills for a personal install.

Codex skills documentation · loads skills from .agents/skills/

Paste into Codex

Install the "chemical-structure-analysis" agent skill from https://github.com/InternScience/scp/tree/main/skills/chemical-structure-analysis into .agents/skills/chemical-structure-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "chemical-structure-analysis", then confirm the skill loads.

Codex copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

skills CLI

$ npx skills add InternScience/scp --skill chemical-structure-analysis -a cursor

Project install goes to .agents/skills/; add -g for ~/.cursor/skills/.

GitHub CLI

$ gh skill install InternScience/scp chemical-structure-analysis --agent cursor

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/InternScience/scp.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/skills/chemical-structure-analysis .cursor/skills/chemical-structure-analysis && rm -rf skills-src

Use ~/.cursor/skills/ instead of .cursor/skills for a personal install.

Cursor skills documentation · loads skills from .cursor/skills/, .agents/skills/, .claude/skills/, .codex/skills/

Paste into Cursor

Install the "chemical-structure-analysis" agent skill from https://github.com/InternScience/scp/tree/main/skills/chemical-structure-analysis into .cursor/skills/chemical-structure-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "chemical-structure-analysis", then confirm the skill loads.

Cursor copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

gemini skills install

$ gemini skills install https://github.com/InternScience/scp.git --path skills/chemical-structure-analysis

--scope user (default) or --scope workspace; --path is the subfolder of the repo that holds the skill; --consent skips the security confirmation prompt.

skills CLI

$ npx skills add InternScience/scp --skill chemical-structure-analysis -a gemini-cli

Project install goes to .agents/skills/; add -g for ~/.gemini/skills/.

GitHub CLI

$ gh skill install InternScience/scp chemical-structure-analysis --agent gemini-cli

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/InternScience/scp.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/skills/chemical-structure-analysis .gemini/skills/chemical-structure-analysis && rm -rf skills-src

Use ~/.gemini/skills/ instead of .gemini/skills for a personal install, then run /skills reload.

Gemini CLI skills documentation · loads skills from .gemini/skills/, .agents/skills/

Paste into Gemini CLI

Install the "chemical-structure-analysis" agent skill from https://github.com/InternScience/scp/tree/main/skills/chemical-structure-analysis into .gemini/skills/chemical-structure-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "chemical-structure-analysis", then confirm the skill loads.

Gemini CLI copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

GitHub CLI

$ gh skill install InternScience/scp chemical-structure-analysis

Installs for Copilot at project scope by default; add --scope user for a personal install. Preview a skill first with gh skill preview. Needs GitHub CLI 2.90.0 or later (public preview).

skills CLI

$ npx skills add InternScience/scp --skill chemical-structure-analysis -a github-copilot

Project install goes to .agents/skills/; add -g for ~/.copilot/skills/.

Manual copy

$ git clone --depth 1 https://github.com/InternScience/scp.git skills-src && mkdir -p .github/skills && cp -r skills-src/skills/chemical-structure-analysis .github/skills/chemical-structure-analysis && rm -rf skills-src

Use ~/.copilot/skills/ instead of .github/skills for a personal install. Commit .github/skills so cloud agent and code review can use it.

GitHub Copilot skills documentation · loads skills from .github/skills/, .claude/skills/, .agents/skills/

Paste into GitHub Copilot

Install the "chemical-structure-analysis" agent skill from https://github.com/InternScience/scp/tree/main/skills/chemical-structure-analysis into .github/skills/chemical-structure-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "chemical-structure-analysis", then confirm the skill loads.

GitHub Copilot copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

skills CLI

$ npx skills add InternScience/scp --skill chemical-structure-analysis -a opencode

OpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.

GitHub CLI

$ gh skill install InternScience/scp chemical-structure-analysis --agent opencode

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/InternScience/scp.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/skills/chemical-structure-analysis .opencode/skills/chemical-structure-analysis && rm -rf skills-src

Use ~/.config/opencode/skills/ instead of .opencode/skills for a personal install.

OpenCode skills documentation · loads skills from .opencode/skills/, .claude/skills/, .agents/skills/

Paste into OpenCode

Install the "chemical-structure-analysis" agent skill from https://github.com/InternScience/scp/tree/main/skills/chemical-structure-analysis into .opencode/skills/chemical-structure-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "chemical-structure-analysis", then confirm the skill loads.

OpenCode copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

Facts

Skill name: chemical-structure-analysis
GitHub stars: 169
Used in: 1 other repo
Token cost: ~838 tokens
SKILL.md length: 67 words
Files: 1
Skills in repo: 73
Repo updated: Jun 3, 2026
First seen: Oct 7, 2026
Licence: MIT

At a glance

Analyze chemical structures from compound names to retrieve SMILES, molecular formulas, molecular weight, and LogP values.

Works in 2 steps: MCP Server Definition → Chemical Structure Analysis Workflow
Tasks that involve Drug discovery and cheminformatics
Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md

What it does

Chemical Structure Analysis is an agent skill from InternScience/scp. Analyze chemical structures from compound names to retrieve SMILES, molecular formulas, molecular weight, and LogP values.

Its SKILL.md is about 840 tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts.

It sits in Research & Science, covering Drug discovery and cheminformatics. The licence is MIT.

When your agent uses it

Tasks that involve Drug discovery and cheminformatics

Example prompts

“/chemical-structure-analysis”

Requirements

Python 3

Workflow steps

2 steps, taken from the step headings in SKILL.md.

MCP Server Definition
Chemical Structure Analysis Workflow

What it can do on your machine

Read from SKILL.md and the folder at commit cea5398. It shows what the files ask for, not the result of running them.

Tool permissions
Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.
From allowed-tools in the SKILL.md frontmatter.
Runs code
No scripts in the folder and no shell commands in SKILL.md (its code samples are python).
From the folder's file list and the shell code blocks in SKILL.md.
Network
No URLs in SKILL.md.
From URLs in SKILL.md, links to its own repository left out.
Credentials
Names no API keys, tokens, secrets or passwords.
From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.

Context cost

Chemical Structure Analysis loads about 838 tokens when it runs. Until then it costs about 38 tokens; SKILL.md has 67 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it: ~38
When it runs · the whole SKILL.md, loaded when a task matches: ~838

Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.

Safety

Auto-check passed

The automated check found no risky patterns in SKILL.md.

Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); files beside SKILL.md are not scanned.

SKILL.md

The full file from InternScience/scp at commit cea5398, republished under its MIT licence (© InternScience). 67 words, ~838 tokens.

Download SKILL.mdSave it as .claude/skills/chemical-structure-analysis/SKILL.md (or your agent's skills folder).

name: chemical-structure-analysis
description: Analyze chemical structures from compound names to retrieve SMILES, molecular formulas, molecular weight, and LogP values.
license: MIT license
metadata.skill-author: PJLab

Chemical Structure Analysis

Usage

1. MCP Server Definition

python

import asyncio
import json
from mcp.client.streamable_http import streamablehttp_client
from mcp import ClientSession

class InternAgentClient:
    """InternAgent MCP Client"""

    def __init__(self, server_url: str, api_key: str):
        self.server_url = server_url
        self.api_key = api_key
        self.session = None

    async def connect(self):
        try:
            self.transport = streamablehttp_client(
                url=self.server_url,
                headers={"SCP-HUB-API-KEY": self.api_key}
            )
            self.read, self.write, self.get_session_id = await self.transport.__aenter__()
            self.session_ctx = ClientSession(self.read, self.write)
            self.session = await self.session_ctx.__aenter__()
            await self.session.initialize()
            return True
        except Exception as e:
            print(f"✗ connect failure: {e}")
            return False

    async def disconnect(self):
        try:
            if self.session:
                await self.session_ctx.__aexit__(None, None, None)
            if hasattr(self, 'transport'):
                await self.transport.__aexit__(None, None, None)
        except Exception as e:
            print(f"✗ disconnect error: {e}")

    def parse_result(self, result):
        try:
            if hasattr(result, 'content') and result.content:
                content = result.content[0]
                if hasattr(content, 'text'):
                    return json.loads(content.text)
            return str(result)
        except Exception as e:
            return {"error": f"parse error: {e}", "raw": str(result)}

2. Chemical Structure Analysis Workflow

Analyze chemical structures from compound names.

Implementation:

python

## Initialize client
client = InternAgentClient(
    "https://scp.intern-ai.org.cn/api/v1/mcp/28/InternAgent",
    "<your-api-key>"
)

if not await client.connect():
    print("connection failed")
    exit()

## Input: Compound name
compound_name = "aspirin"

## Analyze chemical structure
result = await client.session.call_tool(
    "ChemicalStructureAnalyzer",
    arguments={
        "compound_name": compound_name
    }
)

data = client.parse_result(result)

print(f"Compound: {compound_name}")
print(f"SMILES: {data.get('smiles', 'N/A')}")
print(f"Molecular Formula: {data.get('molecular_formula', 'N/A')}")
print(f"Molecular Weight: {data.get('molecular_weight', 'N/A')}")
print(f"LogP: {data.get('logP', 'N/A')}")

await client.disconnect()

Tool Descriptions

InternAgent Server:

ChemicalStructureAnalyzer: Analyze chemical structure from compound name
- Args:
  - compound_name (str): Chemical compound name
- Returns:
  - smiles (str): SMILES notation
  - molecular_formula (str): Chemical formula
  - molecular_weight (float): Molecular weight (g/mol)
  - logP (float): Partition coefficient

Use Cases

Chemical property lookup
Drug-likeness assessment
Compound identification
Chemical database searches

Files

Just SKILL.md in skills/chemical-structure-analysis of InternScience/scp.

Open the folder on GitHubat commit cea5398

Used in 2 other repositories

We found 2 copies of this SKILL.md (exact, near-identical or edited) in other folders, from 1 other GitHub owner. This page covers the copy in InternScience/scp, which our catalogue first saw on October 7, 2026.

Compare with similar skills

Chemical Structure Analysis next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.

Chemical Structure Analysis compared with similar skills
Skill	Stars	Used in	Tokens	Auto-check	Licence	Repo updated
Chemical Structure Analysis this skillInternScience/scp	169	1 repos	~838	Automated safety check: Pass	MIT	4 mo ago
MolecodeAtomFlow-AI/MoleCode	305	—	~1.9k	Automated safety check: Pass	MIT	4 mo ago
Drug DiscoveryTommy-yw/RunbookHermes	546	1 repos	~2.3k	Automated safety check: Pass	MIT	4 mo ago
DiffDock Molecular DockingK-Dense-AI/scientific-agent-skills	48k	1 repos	~3k	Automated safety check: Notes	MIT	3 days ago
Biomedical Analysis Dispatchxjtulyc/MedgeClaw	617	1 repos	~2k	Automated safety check: Pass	None	7 mo ago
Edu Chem Reactionwy51ai/edulab	1.4k	—	~1.2k	Automated safety check: Pass	Apache-2.0	10 days ago

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Questions about Chemical Structure Analysis

What does Chemical Structure Analysis do?

Analyze chemical structures from compound names to retrieve SMILES, molecular formulas, molecular weight, and LogP values. Chemical Structure Analysis is an agent skill from InternScience/scp. Analyze chemical structures from compound names to retrieve SMILES, molecular formulas, molecular weight, and LogP values.

When should I use Chemical Structure Analysis?

Chemical Structure Analysis fits situations like: tasks that involve Drug discovery and cheminformatics.

How do I install Chemical Structure Analysis in Claude Code?

Run `npx skills add InternScience/scp --skill chemical-structure-analysis -a claude-code`. Or copy the skill folder (skills/chemical-structure-analysis in InternScience/scp) into .claude/skills/chemical-structure-analysis in your project. Claude Code loads it when a task matches its description.

How do I install Chemical Structure Analysis in Codex?

Run `npx skills add InternScience/scp --skill chemical-structure-analysis -a codex`. Or copy the skill folder (skills/chemical-structure-analysis in InternScience/scp) into .agents/skills/chemical-structure-analysis in your project. Codex loads it when a task matches its description.

Can I use Chemical Structure Analysis in Cursor, Gemini CLI or GitHub Copilot?

Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add InternScience/scp --skill chemical-structure-analysis -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/chemical-structure-analysis, .gemini/skills/chemical-structure-analysis, .github/skills/chemical-structure-analysis and .opencode/skills/chemical-structure-analysis in your project.

What does Chemical Structure Analysis need to run?

SKILL.md names no scripts, command-line tools or credentials: Chemical Structure Analysis is instructions for the agent only. Our summary lists: Python 3.

Does Chemical Structure Analysis access the network?

SKILL.md contains no URLs. Any network use would come from the scripts or tools the agent runs. This is read from the text; nothing was executed.

Is Chemical Structure Analysis safe to install?

Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. Review the folder before installing.

What licence does Chemical Structure Analysis use?

Chemical Structure Analysis is published under the MIT licence (declared in SKILL.md). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does Chemical Structure Analysis use?

About 838 tokens (SKILL.md is roughly 3.4k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.

What are the alternatives to Chemical Structure Analysis?

Skills that share tags, products or a category with Chemical Structure Analysis: Molecode (AtomFlow-AI/MoleCode, 305 stars), Drug Discovery (Tommy-yw/RunbookHermes, 546 stars), DiffDock Molecular Docking (K-Dense-AI/scientific-agent-skills, 48k stars) and Biomedical Analysis Dispatch (xjtulyc/MedgeClaw, 617 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Chemical Structure Analysis?

InternScience (a GitHub organization) maintains it in InternScience/scp, which has 169 GitHub stars. The repository holds 73 skills in this directory. The repository was last updated on June 3, 2026.

Source: InternScience/scp on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.

Install Chemical Structure Analysis

Facts

At a glance

What it does

When your agent uses it

Example prompts

Requirements

Workflow steps

What it can do on your machine

Tool permissions

Runs code

Network

Credentials

Context cost

Safety

SKILL.md

Chemical Structure Analysis

Usage

1. MCP Server Definition

2. Chemical Structure Analysis Workflow

Tool Descriptions

Use Cases

Files

Used in 2 other repositories

Compare with similar skills

Similar skills

More from InternScience/scp

Related

Questions about Chemical Structure Analysis