Clarify in docs and tutorials the output column in the results' dataset #617
Description
(Apologies if the question is too obvious).
After training and testing with the tutorial https://github.com/DeepRank/deeprank2/blob/main/tutorials/training.ipynb, I get to this:
>>> output_test
phase epoch entry output target loss
0 testing 18.0 residue-ppi:M-P:BA-113208 [0.4746413230895996, 0.5253586769104004] 1.0 0.668939
1 testing 18.0 residue-ppi:M-P:BA-135488 [0.4774721562862396, 0.5225278735160828] 1.0 0.668939
2 testing 18.0 residue-ppi:M-P:BA-136144 [0.533593475818634, 0.4664064645767212] 0.0 0.668939
3 testing 18.0 residue-ppi:M-P:BA-114113 [0.4767359495162964, 0.5232640504837036] 0.0 0.668939
The target is defined (for ppi classification) as not binding (0) or binding (1), in the same tutorial. I thought the values in output were the result of the softmax (left for probability of not binding, right for prob of binding), but that does not match with the binary target column in the example above. So what are these values?
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