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output: Calculating Near-Neighbors for anle.smi Using 20 Cores Predicting for organism : homo Total Number of Classes : 0 Total Number of Query Molecules : 1
no files written
The text was updated successfully, but these errors were encountered:
Need to put organism in exactly and with quotes e.g. --organism 'Homo sapiens' not 'homo'
Also need to put one option for -b e.g. -b 1 not 0.1,1,10,100
command:
$PV4/python sim_to_train.py -f anle.smi --organism homo -n 20 -b 0.1,1,10,100
output:
Calculating Near-Neighbors for anle.smi
Using 20 Cores
Predicting for organism : homo
Total Number of Classes : 0
Total Number of Query Molecules : 1
no files written
The text was updated successfully, but these errors were encountered: