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" | 30 |
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Datei-Aufrufe
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| graph_preprocessing.py | 8 |
| CCSDt_SI.csv | 7 |
| DLPNO_Monomers_SI.csv | 7 |
| gen_predictions_DLPNO.py | 6 |
| gen_predictions_CCSDt.py | 6 |
| DLPNO_Conjugated_SI.csv | 6 |
| DLPNO_Dimers_SI.csv | 6 |
| DLPNO_Atmos_SI.csv | 6 |
| DFT_CCSDt_01.pt | 6 |
| CCSDt_Isomers_SI.csv | 6 |
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