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| ML potential | Program | Version | Repository |
|---|---|---|---|
| ANI | TorchANI | 2.2 | https://github.com/aiqm/torchani |
| DPMD | DeePMD-kit | 1.2.2 | https://github.com/deepmodeling/deepmd-kit |
| PhysNet | PhysNet | e243e2c | https://github.com/MMunibas/PhysNet |
| sGDML | sGDML | 0.4.4 | https://sgdml.org |
| GAP-SOAP | GAP | 1598976566 | https://www.libatoms.org/gap/gap_download.html |
| QUIP | 5c61598e4 | https://github.com/libAtoms/QUIP |
