Data for 133885 GDB-9 molecules RamakrishnanRaghunathan DralPavlo RuppMatthias Anatole von LilienfeldO. 2017 <p>Data for 133885 GDB-9 molecules</p><p><br></p><p>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.<br></p>