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Data for 133885 GDB-9 molecules
Version 2 2017-06-06, 10:25
Version 1 2014-07-31, 12:01
dataset
posted on 2017-06-06, 10:25 authored by Raghunathan RamakrishnanRaghunathan Ramakrishnan, Pavlo Dral, Matthias RuppMatthias Rupp, O. Anatole von LilienfeldData for 133885 GDB-9 molecules
In an earlier version of this dataset the titles of the files "Data for 133885 GDB-9 molecules" and "Data for 6095 constitutional isomers of C7H10O2" were swapped. This has now been corrected.