Update README.md

README.md

@@ -350,6 +350,16 @@ if __name__ == '__main__':
         print(f"An error occurred while writing to JSON: {e}")
 ```
 
+- As a reference, the bash script should look something like this:
+```python
+INFERENCE_FOLDER=output_folder # change to the name of the output folder you want 
+MODEL=checkpoint-90000 # path to the model
+INFERENCE_TXT=reaction.txt # text file containing the reactions (in SMILE format) wanting to generate for. 
+
+source .environment/bin/activate # load an environment containing the required dependencies (transformers, torch, datasets)
+python inference.py --input_file "$INFERENCE_TXT" --model_path "$MODEL" --output_folder "$INFERENCE_FOLDER" --tokenizer_mol tokenizer_ABPE_rexzyme_offset --tokenizer_aa tokenizer_aa
+```
+
 ## **A word of caution** 
 
 - We have not yet fully tested the ability of the model for the generation of new-to-nature enzymes, i.e.,