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" | 53 |
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| DLPNO_Monomers_SI.csv | 17 |
| graph_preprocessing.py | 15 |
| DFT_CCSDt_01.pt | 14 |
| DFT_DLPNO_Dimers_07.pt | 11 |
| gen_predictions_DLPNO.py | 11 |
| gen_predictions_CCSDt.py | 11 |
| CCSDt_SI.csv | 11 |
| DLPNO_Dimers_SI.csv | 11 |
| DFT_DLPNO_Monomers_09.pt | 10 |
| DFT_DLPNO_Monomers_06.pt | 10 |
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