Provided by: python-chemfp_1.1p1-2_amd64
NAME
simsearch - simsearch
DESCRIPTION
usage: simsearch [-h] [-k K_NEAREST] [-t THRESHOLD] [-q QUERIES] [--NxN] [--hex-query HEX_QUERY] [--query-id QUERY_ID] [--in FORMAT] [-o FILENAME] [-c] [-b BATCH_SIZE] [--scan] [--memory] [--times] target_filename Search an FPS file for similar fingerprints positional arguments: target_filename target filename optional arguments: -h, --help show this help message and exit -k K_NEAREST, --k-nearest K_NEAREST select the k nearest neighbors (use 'all' for all neighbors) -t THRESHOLD, --threshold THRESHOLD minimum similarity score threshold -q QUERIES, --queries QUERIES filename containing the query fingerprints --NxN use the targets as the queries, and exclude the selfsimilarity term --hex-query HEX_QUERY query in hex --query-id QUERY_ID id for the hex query --in FORMAT input query format (default uses the file extension, else 'fps') -o FILENAME, --output FILENAME output filename (default is stdout) -c, --count report counts -b BATCH_SIZE, --batch-size BATCH_SIZE batch size --scan scan the file to find matches (low memory overhead) --memory build and search an in-memory data structure (faster for multiple queries) --times report load and execution times to stderr