The Agent Skills Directory

[EXTERNAL_DOWNLOADS]: The skill requires downloading pre-trained model checkpoints and the ms_pred Python library from the Coley Group's GitHub repository at MIT (github.com/coleygroup/ms-pred). This is a well-known academic source in the chemistry and machine learning community.
[COMMAND_EXECUTION]: The example script examples/predict_smiles.py uses subprocess.run to call the core prediction script. The implementation uses a list of arguments and avoids spawning a shell, which is a secure practice that prevents shell injection attacks.

chem-msms-predict