Feature Request: Atom-Level Representation Extraction Script

[zhaoqichang]

First of all, thank you for the excellent work on SCAGE! It is a very impressive and useful model.

I am writing to kindly request a utility script that would allow users to easily obtain atom-level representations (e.g., embeddings or hidden states from the pre-trained model) given a molecule's SMILES string.

Such a script would greatly facilitate downstream tasks like interpretability analysis, atom-wise property prediction, or visualization, making the powerful features of SCAGE more accessible for practical research and applications.