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Description
Hello,
We could successfully run SAFRAN applymax and explore the results with LinkExplorer, thanks again for your help!
Now we would like to run the non-redundant algorithms.
What we did is
run calcjacc with this config
PATH_TRAINING = Adsicore_V04.tsv
PATH_TEST = DB05419.test.tsv
PATH_VALID = valid.txt
PATH_RULES = rules/alpha-1000
WORKER_THREADS = 30
VERBOSE = 1
PATH_JACCARD = jaccard.V02
which takes quite some time, and then run learnnrnoisy with this config
PATH_TRAINING = Adsicore_V04.tsv
PATH_TEST = DB05419.test.tsv
PATH_VALID = valid.txt
PATH_JACCARD = jaccard.V02
PATH_RULES = rules/alpha-1000
PATH_OUTPUT = predictions.learnnrnoisy.V02
WORKER_THREADS = 15
PATH_CLUSTER = cluster.adsicore.V02.txt
which runs pretty quickly. Unfortunately, cluster.adsicore.V02.txt is empty.
It is to be noted that the test set only contains triplets about 1 molecule, and 54 lines, could it be that there are just no clusters found? (Adsicore_V04.tsv contains 6411664 lines)