Agent skill

Drugsda Compound Retrieve

Retrieve SMILES strings from PubChem using compound names. An agent skill from InternScience/scp.

Install Drugsda Compound Retrieve

skills CLI

$ npx skills add InternScience/scp --skill drugsda-compound-retrieve -a claude-code

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

GitHub CLI

$ gh skill install InternScience/scp drugsda-compound-retrieve --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/drugsda-compound-retrieve .claude/skills/drugsda-compound-retrieve && 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 "drugsda-compound-retrieve" agent skill from https://github.com/InternScience/scp/tree/main/skills/drugsda-compound-retrieve into .claude/skills/drugsda-compound-retrieve/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "drugsda-compound-retrieve", 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/drugsda-compound-retrieve

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 drugsda-compound-retrieve -a codex

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

GitHub CLI

$ gh skill install InternScience/scp drugsda-compound-retrieve --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/drugsda-compound-retrieve .agents/skills/drugsda-compound-retrieve && 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 "drugsda-compound-retrieve" agent skill from https://github.com/InternScience/scp/tree/main/skills/drugsda-compound-retrieve into .agents/skills/drugsda-compound-retrieve/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "drugsda-compound-retrieve", 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 drugsda-compound-retrieve -a cursor

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

GitHub CLI

$ gh skill install InternScience/scp drugsda-compound-retrieve --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/drugsda-compound-retrieve .cursor/skills/drugsda-compound-retrieve && 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 "drugsda-compound-retrieve" agent skill from https://github.com/InternScience/scp/tree/main/skills/drugsda-compound-retrieve into .cursor/skills/drugsda-compound-retrieve/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "drugsda-compound-retrieve", 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/drugsda-compound-retrieve

--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 drugsda-compound-retrieve -a gemini-cli

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

GitHub CLI

$ gh skill install InternScience/scp drugsda-compound-retrieve --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/drugsda-compound-retrieve .gemini/skills/drugsda-compound-retrieve && 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 "drugsda-compound-retrieve" agent skill from https://github.com/InternScience/scp/tree/main/skills/drugsda-compound-retrieve into .gemini/skills/drugsda-compound-retrieve/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "drugsda-compound-retrieve", 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 drugsda-compound-retrieve

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 drugsda-compound-retrieve -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/drugsda-compound-retrieve .github/skills/drugsda-compound-retrieve && 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 "drugsda-compound-retrieve" agent skill from https://github.com/InternScience/scp/tree/main/skills/drugsda-compound-retrieve into .github/skills/drugsda-compound-retrieve/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "drugsda-compound-retrieve", 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 drugsda-compound-retrieve -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 drugsda-compound-retrieve --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/drugsda-compound-retrieve .opencode/skills/drugsda-compound-retrieve && 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 "drugsda-compound-retrieve" agent skill from https://github.com/InternScience/scp/tree/main/skills/drugsda-compound-retrieve into .opencode/skills/drugsda-compound-retrieve/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "drugsda-compound-retrieve", 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: drugsda-compound-retrieve
GitHub stars: 169
Used in: 1 other repo
Token cost: ~794 tokens
SKILL.md length: 20 words
Files: 1
Skills in repo: 73
Repo updated: Jun 3, 2026
First seen: Oct 7, 2026
Licence: MIT

At a glance

Retrieve SMILES strings from PubChem using compound names. An agent skill from InternScience/scp.

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

What it does

Drugsda Compound Retrieve is an agent skill from InternScience/scp. Retrieve SMILES strings from PubChem using compound names.

Its SKILL.md is about 790 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

“/drugsda-compound-retrieve”

Requirements

Python 3

Workflow steps

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

MCP Server Definition
Tool Usage

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 and tex).
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

Drugsda Compound Retrieve loads about 794 tokens when it runs. Until then it costs about 21 tokens; SKILL.md has 20 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it: ~21
When it runs · the whole SKILL.md, loaded when a task matches: ~794

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). 20 words, ~794 tokens.

Download SKILL.mdSave it as .claude/skills/drugsda-compound-retrieve/SKILL.md (or your agent's skills folder).

name: drugsda-compound-retrieve
description: Retrieve SMILES strings from PubChem using compound names.
license: MIT license
metadata.skill-author: PJLab

SMILES Retriever

Usage

1. MCP Server Definition

python

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

class DrugSDAClient:    
    def __init__(self, server_url: str):
        self.server_url = server_url
        self.session = None
        
    async def connect(self):
        print(f"server url: {self.server_url}")
        try:
            self.transport = streamablehttp_client(
                url=self.server_url,
                headers={"SCP-HUB-API-KEY": "sk-a0033dde-b3cd-413b-adbe-980bc78d6126"}
            )
            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()
            session_id = self.get_session_id()
            
            print(f"✓ connect success")
            return True
            
        except Exception as e:
            print(f"✗ connect failure: {e}")
            import traceback
            traceback.print_exc()
            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)
            print("✓ already disconnect")
        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. Tool Usage

The description of tool retrieve_smiles_by_compoundname.

tex

Retrieve SMILES strings from PubChem using compound names.
Args:
    compound_names (List[str]): List of input compound names (e.g., ["aspirin", "caffeine"])
Return:
    status (str): success/partial_success/error
    msg (str): message
    retrieve_smiles (List[dict]): List of dict, each containing the keys 'compound_name' and 'smiles'.
        --compound_name (str): A compound name of compound_names 
        --smiles (str): The retrieved SMILES string, if it exists; otherwise, None.

How to use tool retrieve_smiles_by_compoundname :

python

client = DrugSDAClient("https://scp.intern-ai.org.cn/api/v1/mcp/2/DrugSDA-Tool")
if not await client.connect():
    print("connection failed")
    return

response = await client.session.call_tool(
    "retrieve_smiles_by_compoundname",
    arguments={
        "compound_names": compound_names
    }
)
result = client.parse_result(response)
retrieve_smiles = result["retrieve_smiles"]

await client.disconnect()

Files

Just SKILL.md in skills/drugsda-compound-retrieve 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

Drugsda Compound Retrieve 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.

Drugsda Compound Retrieve compared with similar skills
Skill	Stars	Used in	Tokens	Auto-check	Licence	Repo updated
Drugsda Compound Retrieve this skillInternScience/scp	169	1 repos	~794	Automated safety check: Pass	MIT	4 mo ago
MolecodeAtomFlow-AI/MoleCode	306	—	~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	4 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	11 days ago

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Questions about Drugsda Compound Retrieve

What does Drugsda Compound Retrieve do?

Retrieve SMILES strings from PubChem using compound names. An agent skill from InternScience/scp. Drugsda Compound Retrieve is an agent skill from InternScience/scp. Retrieve SMILES strings from PubChem using compound names.

When should I use Drugsda Compound Retrieve?

Drugsda Compound Retrieve fits situations like: tasks that involve Drug discovery and cheminformatics.

How do I install Drugsda Compound Retrieve in Claude Code?

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

How do I install Drugsda Compound Retrieve in Codex?

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

Can I use Drugsda Compound Retrieve 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 drugsda-compound-retrieve -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/drugsda-compound-retrieve, .gemini/skills/drugsda-compound-retrieve, .github/skills/drugsda-compound-retrieve and .opencode/skills/drugsda-compound-retrieve in your project.

What does Drugsda Compound Retrieve need to run?

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

Does Drugsda Compound Retrieve 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 Drugsda Compound Retrieve 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 Drugsda Compound Retrieve use?

Drugsda Compound Retrieve 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 Drugsda Compound Retrieve use?

About 794 tokens (SKILL.md is roughly 3.2k 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 Drugsda Compound Retrieve?

Skills that share tags, products or a category with Drugsda Compound Retrieve: Molecode (AtomFlow-AI/MoleCode, 306 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 Drugsda Compound Retrieve?

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.

Drugsda Compound Retrieve

Install Drugsda Compound Retrieve

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

SMILES Retriever

Usage

1. MCP Server Definition

2. Tool Usage

Files

Used in 2 other repositories

Compare with similar skills

Similar skills

Molecode

Drug Discovery

DiffDock Molecular Docking

Biomedical Analysis Dispatch

Edu Chem Reaction

Biopipelines

More from InternScience/scp

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Biomedical Web Search

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Chembl Molecule Search

Questions about Drugsda Compound Retrieve

Install Drugsda Compound Retrieve

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

SMILES Retriever

Usage

1. MCP Server Definition

2. Tool Usage

Files

Used in 2 other repositories

Compare with similar skills

Similar skills

More from InternScience/scp

Related

Questions about Drugsda Compound Retrieve