Statistiken für Data and Code for "Machine Learning for Bridging the Gap between Density Functional Theory and Coupled Cluster Energies"
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Data and Code for "Machine Learning for Bridging the Gap between Density Functional Theory and Coupled Cluster Energies" | 73 |
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Mai 2024 | 13 |
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Datei-Aufrufe
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DLPNO_Monomers_SI.csv | 25 |
DFT_CCSDt_01.pt | 20 |
graph_preprocessing.py | 19 |
DLPNO_Dimers_SI.csv | 18 |
CCSDt_SI.csv | 17 |
gen_predictions_CCSDt.py | 16 |
gen_predictions_DLPNO.py | 15 |
DFT_DLPNO_Dimers_08.pt | 15 |
DFT_CCSDt_02.pt | 15 |
DFT_DLPNO_Dimers_01.pt | 15 |
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