Batch search for compound neighbors
Usage:
neighbors.py --query QUERY_FILE --db DATABASE_FILE --out OUTPUT_CSV [--sim SIM_CUTOFF --max MAX_NEIGHBORS]
Options:
--query QUERY_FILE query file name
--db DATABASE_FILE database file name
--out OUTPUT_FILE output csv file
--sim SIMILARITY_CUTOFF minimum similarity cutoff for output (default 0.8)
--max MAX_NEIGHBORS maximum number of neighbors to output (default 5)