skills/diffdock/scripts/prepare_batch_csv.py

• validate_smiles · function · L30-L41 — def validate_smiles(smiles_string)
• validate_file_path · function · L44-L58 — def validate_file_path(file_path, base_dir=None)
• validate_csv · function · L61-L159 — def validate_csv(csv_path, base_dir=None)
• create_template_csv · function · L162-L183 — def create_template_csv(output_path, num_examples=3)
• main · function · L186-L253 — def main()