Chemistry
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Apparently, this user prefers to keep an air of mystery about them.

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  • Member for 1 year, 1 month
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  • Last seen Sep 6 at 15:11

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14 Are there any datasets containing molecules with more than 38 heavy atoms? Aug 31 '19
9 SMILES vs. Graph representation in deep learning Feb 21
7 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 Simple QM9 properties for prediction Jan 22
4 Molecular similarity using Tanimoto coefficient Apr 2
4 What is maximum energy level of molecules? Feb 10
4 On mathematics behind molecular orbital energies Oct 21 '19
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