Datasets And Config Files For The Chemical Navigator Tests
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This are the datasets and config files used to test the MSc in Bioinformatics thesis at the UPF by Josep Arus-Pous. This dataset includes:
Configuration files in HOCON format that were used for the tests (n = 250, 500 and 5000).
Raw data file of the results of the tests, both in csv and html.
A list of the 200 pairs of molecules selected from ZINC and used for the navigation test.
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Zenodo创建时间：
2016-05-19
