GNN backbones
The available pre-trained GNNs can be listed by running franken.backbones list.
As of today, the available models are:
--------------------------------AVAILABLE MODELS--------------------------------
* MACE
mace_mp/small
mace_mp/medium
mace_mp/large
mace_mp/small-0b
mace_mp/medium-0b
mace_mp/small-0b2
mace_mp/medium-0b2
mace_mp/large-0b2
mace_mp/medium-0b3
mace_mpa/medium-0
mace_omat/small-0
mace_omat/medium-0
mace_matpes/pbe-0
mace_matpes/r2scan-0
mace_mh/0
mace_mh/1
mace_omol/0_1024
mace_omol/0_4M
mace_off/small
mace_off/medium
mace_off/medium24
mace_off/large
* PET
PET_MAD/xs_1.5
PET_MAD/s_1.5
PET_OMat/xs_1.0
PET_OMat/s_1.0
PET_OMat/m_1.0
PET_OMat/l_1.0
PET_OMat/xl_1.0
* SEVENN
SevenNet0/11July2024
--------------------------------------------------------------------------------
Models can also be directly downloaded by copying the backbone-ID from the command above into the download command
franken.backbones download <gnn_backbone_id>
Check the command-line help (e.g. franken.backbones download --help) for more information.