ICAR Research Data Repository for Knowledge Management
GEOM
Harvard Dataverse (Africa Rice Center, Bioversity International, CCAFS, CIAT, IFPRI, IRRI and WorldFish)
View Archive Info| Field | Value | |
| Title |
GEOM
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| Identifier |
https://doi.org/10.7910/DVN/JNGTDF
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| Creator |
Axelrod, Simon
Gomez-Bombarelli, Rafael |
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| Publisher |
Harvard Dataverse
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| Description |
Here you can find GEOM, a dataset with over 37 million molecular conformations annotated by energy and statistical weight for over 450,000 molecules. Over 317,000 species contain experimental data related to biophysics, physiology, and physical chemistry, and the remaining 133,000 species are from the QM9 dataset.
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| Subject |
Chemistry
Computer and Information Science computational chemistry quantum chemistry machine learning cheminformatics computational drug discovery |
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| Contributor |
Axelrod, Simon
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