Access to this dataset is subject to the following terms:
If you use this dataset please add this citation to your publication:
Ward, Logan; Blaiszik, Ben; Foster, Ian; Assary, Rajeev; Narayanan, Badri; Curtiss, Larry, "Dataset for Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations," 2019, http://dx.doi.org/doi:10.18126/M2V65Z
Title: Dataset for Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations
Authors: Ward, Logan
Blaiszik, Ben
Foster, Ian
Assary, Rajeev
Narayanan, Badri
Curtiss, Larry
Issue Date: 2019
Publisher: Materials Data Facility
URI: http://dx.doi.org/doi:10.18126/M2V65Z
Appears in Collections:MDF Open



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