| System | Number of structures | Method | Citation |
|---|---|---|---|
| Methane | 578,731 | MN15/6-31G** | |
| Dodecane | 35,496 | MN15/6-31G** | |
| CL-20 | 9,438 | PBE-D3 |
| System | Software | Citation |
|---|---|---|
| Dodecane | DeePMD-kit v1.2 |
| System | Software | Citation |
|---|---|---|
| Dodecane | DP-GEN v0.8 | |
| CL-20 | DP-GEN v0.8 |
tongzhugroup/NNREAX
Folders and files
| Name | Name | Last commit date | ||
|---|---|---|---|---|