QM9 (Quantum Machines 9)
QM9 provides quantum chemical properties for a relevant, consistent, and comprehensive chemical space of small organic molecules. This database may serve the benchmarking of existing methods, development of new methods, such as hybrid quantum mechanics/machine learning, and systematic identification of structure-property relationships.
Source: QM9 DatasetBenchmarks
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QM9
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Wigner Kernels
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QM9
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Uni-Mol
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QM9
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MXMNet
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QM9
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Nash-MTL
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QM9
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Ensemble of top 400 submissions
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Papers
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