Upload README.md with huggingface_hub
Browse files
README.md
CHANGED
|
@@ -16,6 +16,9 @@ file of hyperparameters per model.
|
|
| 16 |
| file | model | source | licence |
|
| 17 |
|---|---|---|---|
|
| 18 |
| `pet-mad-xs` | PET-MAD XS | lab-cosmo/upet, converted with convert_pet.py | BSD-3-Clause |
|
|
|
|
|
|
|
|
|
|
| 19 |
| `ani-2x` | ANI-2x | TorchANI models.ANI2x(), converted with convert_ani.py | MIT |
|
| 20 |
| `physnet-acetone` | PhysNet 路 acetone MP2 | mmml physnetjax, trained with train_physnet_demo.py | MIT |
|
| 21 |
| `pet-mols-s-v1.0` | PET-MOLS S v1.0 | lab-cosmo/upet, converted with convert_pet.py | BSD-3-Clause |
|
|
@@ -26,6 +29,10 @@ file of hyperparameters per model.
|
|
| 26 |
|
| 27 |
- **PET-MAD / PET-MOLS**: [lab-cosmo/upet](https://huggingface.co/lab-cosmo/upet) (BSD-3-Clause), converted with
|
| 28 |
[pet-kokkos](https://github.com/EricBoittier/pet-kokkos)'s `convert_pet.py`. Cite the PET and PET-MAD papers when you use them.
|
|
|
|
|
|
|
|
|
|
|
|
|
| 29 |
- **ANI-2x**: [TorchANI](https://github.com/aiqm/torchani) (MIT), Devereux et al., *J. Chem. Theory Comput.* 16, 4192 (2020),
|
| 30 |
converted with `scripts/convert_ani.py`.
|
| 31 |
- **PhysNet (acetone)**: a small invariant PhysNet ([mmml](https://github.com/EricBoittier/mmml) `physnetjax`, MIT,
|
|
|
|
| 16 |
| file | model | source | licence |
|
| 17 |
|---|---|---|---|
|
| 18 |
| `pet-mad-xs` | PET-MAD XS | lab-cosmo/upet, converted with convert_pet.py | BSD-3-Clause |
|
| 19 |
+
| `mace-mp-0b3-medium` | MACE-MP-0b3 medium | mace-foundations/mace-mp-0, converted with convert_mace.py | MIT |
|
| 20 |
+
| `mace-mp-0b2-small` | MACE-MP-0b2 small | mace-foundations/mace-mp-0, converted with convert_mace.py | MIT |
|
| 21 |
+
| `lorem-demo` | LOREM demo | metatrain experimental LOREM, random initialization from convert_lorem.py | MIT |
|
| 22 |
| `ani-2x` | ANI-2x | TorchANI models.ANI2x(), converted with convert_ani.py | MIT |
|
| 23 |
| `physnet-acetone` | PhysNet 路 acetone MP2 | mmml physnetjax, trained with train_physnet_demo.py | MIT |
|
| 24 |
| `pet-mols-s-v1.0` | PET-MOLS S v1.0 | lab-cosmo/upet, converted with convert_pet.py | BSD-3-Clause |
|
|
|
|
| 29 |
|
| 30 |
- **PET-MAD / PET-MOLS**: [lab-cosmo/upet](https://huggingface.co/lab-cosmo/upet) (BSD-3-Clause), converted with
|
| 31 |
[pet-kokkos](https://github.com/EricBoittier/pet-kokkos)'s `convert_pet.py`. Cite the PET and PET-MAD papers when you use them.
|
| 32 |
+
- **MACE-MP-0**: [mace-foundations/mace-mp-0](https://huggingface.co/mace-foundations/mace-mp-0) (MIT), Batatia et al.,
|
| 33 |
+
*A foundation model for atomistic materials chemistry* (2023), converted with `scripts/convert_mace.py`.
|
| 34 |
+
- **LOREM demo**: a random initialization of [metatrain](https://github.com/lab-cosmo/metatrain)'s experimental LOREM
|
| 35 |
+
(Bigi et al., arXiv:2507.19382), exported with `scripts/convert_lorem.py`. Not a trained potential.
|
| 36 |
- **ANI-2x**: [TorchANI](https://github.com/aiqm/torchani) (MIT), Devereux et al., *J. Chem. Theory Comput.* 16, 4192 (2020),
|
| 37 |
converted with `scripts/convert_ani.py`.
|
| 38 |
- **PhysNet (acetone)**: a small invariant PhysNet ([mmml](https://github.com/EricBoittier/mmml) `physnetjax`, MIT,
|