Advisor Batch Query

A script that calls arthor.docking.org's similarity search API on the aggregator dataset.

Instructions

1. Install rdkit
   • pip install rdkit
2. Enter a list of smiles separated by new lines and put them in "smiles.txt" file.
3. Run the script
   • python advisor_batch.py
4. Choose an affinity from strong, standard, or weak.
5. The script should create a file called results.txt.