Molecule SMILES Valid Check

SkillDev tools

Check if the input molecule SMILES string is valid.

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 Molecule SMILES Valid Check skill

What this skill tells your AI

The instructions your AI receives, as published by internscience/molclaw in skills/L1_tools/molclaw-smiles-valid-check/SKILL.md and read by ahel’s review.

Note:

  • Local files are not directly accessible by the server. Please upload them to the server using molclaw-file-transfer before execution.
  • For PDB file inputs, it is recommended to preprocess them using molclaw-pdbfixer before execution.
  • Please refer to skill molclaw-scp-server to complete tool invocation.

The description of tool is_valid_smiles.

Check if the input SMILES string is valid
Args:
    smiles_list (List[str]): List of input SMILES strings, (e.g., ["N[C@@H](Cc1ccc(O)cc1)C(=O)O", "CC(C)C1=CC=CC=C1"])
Return:
    status (str): success/partial_success/error
    msg (str): message
    valid_res (List[dict]): List of dict, each containing the keys 'smiles' and 'is_valid'.
        --smiles (str): A SMILES string of smiles_list
        --is_valid (bool): Is the SMILES valid or not

How to use tool is_valid_smiles :

response = await client.session.call_tool(
    "is_valid_smiles",
    arguments={
        "smiles_list": smiles_list
    }
)
result = client.parse_result(response)
valid_res = result["valid_res"]

Signals

GitHub stars
33
Forks
3
Last commit
Aug 2026
Advanced
Catalog kind
skill
Gateway key
molclaw-smiles-valid-check
Source
github.com/internscience/molclaw