Question about pre-trained ligand embeddings by Unimol tools

### Summary

Hello,

I am using the pre-trained ligand embeddings from [Uni-Mol unimol_tools](https://github.com/deepmodeling/Uni-Mol/tree/main/unimol_tools). The documentation states that the atom-level representations align with rdkit mol.GetAtoms().

Could you please clarify how SMILES strings are processed internally by Uni-Mol tools? Specifically, do you apply any atom reordering or special sanitization steps that could affect atom order? I want to ensure that the ordering of atom types and embeddings corresponds exactly to the atom order in my own mol2/sdf files.

Thank you very much for your help!

Best regards.

### Uni-Mol Version

Uni-Mol

### Details

Hello,

I am using the pre-trained ligand embeddings from [Uni-Mol unimol_tools](https://github.com/deepmodeling/Uni-Mol/tree/main/unimol_tools). The documentation states that the atom-level representations align with rdkit mol.GetAtoms().

Could you please clarify how SMILES strings are processed internally by Uni-Mol tools? Specifically, do you apply any atom reordering or special sanitization steps that could affect atom order? I want to ensure that the ordering of atom types and embeddings corresponds exactly to the atom order in my mol2/sdf files.

Thank you very much for your help!

Best regards,