Table 3.
List of data sets in polarizability calculations
| Data Set | Description | # Entries |
|---|---|---|
| Set1 | Training set of organic molecules | 595 |
| Set2 | Training set of water dimers and clusters | 665 |
| Set3 | Training set of charged molecules [Part 1] | 107 |
| Set4 | Training set of charged molecules [Part 2] | 38 |
| Set5 | Dimers of amino acid analogs | 444 |
| Set6 | Dimers of nucleic acid bases | 28 |
| Set7 | Dimers of water and biologic building blocks | 85 |
| Set8 | Dipeptides | 606 |
| Set9 | Tetrapeptides | 105 |
| Set10 | Organic molecules | 1242 |
| Set11 | Water clusters | 799 |
| Set12 | Charged molecules | 57 |
| Set13 | Dimers of water-charged molecules | 61 |
| Total | 4842 |