Chemistry
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15 Are there any datasets containing molecules with more than 38 heavy atoms? Aug 31 '19
11 SMILES vs. Graph representation in deep learning Feb 21 '20
8 On diagonal terms in the Coulomb matrix Sep 27 '19
7 Accuracy of Quantum Chemistry ML models Sep 26 '19
6 QM9 property based clustering Dec 13 '19
5 QM9 dataset with chirality Sep 13 '19
4 Stability of molecule based on ring size Nov 8 '20
4 Fundamental vibrational modes for QM9 molecules Oct 24 '20
4 Validity of graph-based molecular representation in ML May 6 '20
4 Simple QM9 properties for prediction Jan 22 '20
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