QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
Measurement(s) Chemical Properties • Physical Properties Technology Type(s) quantum chemistry computational method Factor Type(s) molecule Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.13424984
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2021-02-01
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| Series: | Scientific Data |
| Online Access: | https://doi.org/10.1038/s41597-021-00812-2 |