This release adds several new pretrained models: AceFF (versions 1.0, 1.1, and 2.0), MACE-OFF24(M), MACE-MPA-0, MACE-OMAT-0(S), and MACE-OMAT-0(M). It also supports user provided models created with TorchMD-Net.
What's Changed
- implement TorchMD-Net potential by @sef43 in #107
- Support more MACE foundation models by @peastman in #109
- Default to TorchANI instead of NNPOps by @peastman in #110
- add aceff-2.0 by @sef43 in #111
- Update version number to 1.5 by @peastman in #112
Full Changelog: 1.4...1.5
Contributors
peastman and sef43