Published August 17, 2019
| Version 1.1.1
Dataset
Open
Computation-Ready Experimental Metal-Organic Framework (CoRE MOF) 2019 Dataset
Authors/Creators
- 1. Pusan National University
- 2. University of Minnesota Twin Cities
- 3. Northwestern University
- 4. IMDEA
- 5. University of Nottingham
- 6. Georgia Institute of Technology
- 7. University College London
Description
High-throughput computational screening of metal-organic frameworks rely on the availability of atomic coordinate files which can be used as input to simulation software packages.
CoRE MOF Datasets are derived from Cambridge Structural Database (CSD) and also from the World Wide Web.
Notes
FIJDOS_freeONLY has been corrected.
Files
2019-07-01-ASR-internal-overlap-clean_9146.csv
Files
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Additional details
Related works
- Is new version of
- 10.5281/zenodo.3228673 (DOI)
- Is supplemented by
- 10.1021/acs.chemmater.5b03836 (DOI)
- 10.1021/acs.chemmater.6b04226 (DOI)