OQMD v1.2 (The Open Quantum Materials Database)
Introduced by Yamamoto in Crystal Graph Neural Networks for Data Mining in Materials Science
The OQMD is a database of DFT calculated thermodynamic and structural properties of one million materials, created in Chris Wolverton's group at Northwestern University.
The OQMD v1.2 dataset for CGNN is downloadable from this link, which contains 561,888 materials. Its format is described in here. The original data is available at the OQMD website.
Benchmarks
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OQMD v1.2
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CGNN Ensemble
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OQMD v1.2
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CGNN Ensemble
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OQMD v1.2
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CGNN Ensemble
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OQMD v1.2
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CGNN Ensemble
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Papers
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