molclaw-smiles-valid-check

name	molclaw-smiles-valid-check
description	Check if the input molecule SMILES string is valid.
license	MIT license
metadata	{"skill-author":"PJLab"}

Molecule SMILES Valid Check

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"]