diff --git a/MODELS.md b/MODELS.md index 71f0e47..ab7dc22 100644 --- a/MODELS.md +++ b/MODELS.md @@ -3,11 +3,11 @@ | Model Name | Link | MD5 Hash | Matbench Discovery | D3 Corrections | Notes | |------------|------|----------|---------------------|-----------------|-------| -| **orb-v1** | [link](https://storage.googleapis.com/orbitalmaterials-public-models/forcefields/orbff-v1-20240827.ckpt) | 92897eda08609425ee001955c7885139 | Yes | No | Full dataset pretraining, MPTraj + Alexandria finetuning | -| **orb-mptraj-only-v1** | [link](https://storage.googleapis.com/orbitalmaterials-public-models/forcefields/orbff-mptraj-only-v1-20240827.ckpt) | ff42a2bc1e1f50b5f3ee2a20b83cf3a2 | Yes | No | MPTraj pretraining and finetuning only | -| **orb-d3-v1** | [link](https://storage.googleapis.com/orbitalmaterials-public-models/forcefields/orb-d3-v1-20240902.ckpt) | 470c7d3482ead3bc97cd4b46382d5e47 | No | Yes | Full dataset pretraining, MPTraj + Alexandria finetuning, integrated D3 corrections | -| **orb-d3-sm-v1** | [link](https://storage.googleapis.com/orbitalmaterials-public-models/forcefields/orb-d3-sm-v1-20240902.ckpt) | 64fe91603e46ad5fa695525e3f1e9397 | No | Yes | First 10 layers of a pretrained model finetuned on mptrj + alexandria with D3 corrections | -| **orb-d3-xs-v1** | [link](https://storage.googleapis.com/orbitalmaterials-public-models/forcefields/orb-d3-xs-v1-20240902.ckpt) | 79d042f9f16c4407795426a75498fbb7 | No | Yes | First 5 layers of a pretrained model finetuned on mptrj + alexandria with D3 corrections | +| **orb-v1** | [link](https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orbff-v1-20240827.ckpt) | 92897eda08609425ee001955c7885139 | Yes | No | Full dataset pretraining, MPTraj + Alexandria finetuning | +| **orb-mptraj-only-v1** | [link](https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orbff-mptraj-only-v1-20240827.ckpt) | ff42a2bc1e1f50b5f3ee2a20b83cf3a2 | Yes | No | MPTraj pretraining and finetuning only | +| **orb-d3-v1** | [link](https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-d3-v1-20240902.ckpt) | 470c7d3482ead3bc97cd4b46382d5e47 | No | Yes | Full dataset pretraining, MPTraj + Alexandria finetuning, integrated D3 corrections | +| **orb-d3-sm-v1** | [link](https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-d3-sm-v1-20240902.ckpt) | 64fe91603e46ad5fa695525e3f1e9397 | No | Yes | First 10 layers of a pretrained model finetuned on mptrj + alexandria with D3 corrections | +| **orb-d3-xs-v1** | [link](https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-d3-xs-v1-20240902.ckpt) | 79d042f9f16c4407795426a75498fbb7 | No | Yes | First 5 layers of a pretrained model finetuned on mptrj + alexandria with D3 corrections | diff --git a/orb_models/forcefield/pretrained.py b/orb_models/forcefield/pretrained.py index 578a4c7..7f78457 100644 --- a/orb_models/forcefield/pretrained.py +++ b/orb_models/forcefield/pretrained.py @@ -90,7 +90,7 @@ def load_model_for_inference( def orb_v2( - weights_path: str = "https://storage.googleapis.com/orbitalmaterials-public-models/forcefields/orb-v2-20241011.ckpt", # noqa: E501 + weights_path: str = "https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-v2-20241011.ckpt", # noqa: E501 device: Union[torch.device, str] = None, ): """Load ORB v2.""" @@ -130,7 +130,7 @@ def orb_v2( def orb_mptraj_only_v2( - weights_path: str = "https://storage.googleapis.com/orbitalmaterials-public-models/forcefields/orb-mptraj-only-v2-20241014.ckpt", # noqa: E501 + weights_path: str = "https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-mptraj-only-v2-20241014.ckpt", # noqa: E501 device: Union[torch.device, str] = None, ): """Load ORB MPTraj Only v2.""" @@ -139,7 +139,7 @@ def orb_mptraj_only_v2( def orb_d3_v2( - weights_path: str = "https://storage.googleapis.com/orbitalmaterials-public-models/forcefields/orb-d3-v2-20241011.ckpt", # noqa: E501 + weights_path: str = "https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-d3-v2-20241011.ckpt", # noqa: E501 device: Union[torch.device, str] = None, ): """Load ORB D3 v2.""" @@ -179,7 +179,7 @@ def orb_d3_v2( def orb_d3_sm_v2( - weights_path: str = "https://storage.googleapis.com/orbitalmaterials-public-models/forcefields/orb-d3-sm-v2-20241011.ckpt", # noqa: E501 + weights_path: str = "https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-d3-sm-v2-20241011.ckpt", # noqa: E501 device: Union[torch.device, str] = None, ): """Load ORB D3 v2.""" @@ -221,7 +221,7 @@ def orb_d3_sm_v2( def orb_d3_xs_v2( - weights_path: str = "https://storage.googleapis.com/orbitalmaterials-public-models/forcefields/orb-d3-xs-v2-20241011.ckpt", # noqa: E501 + weights_path: str = "https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-d3-xs-v2-20241011.ckpt", # noqa: E501 device: Union[torch.device, str] = None, ): """Load ORB D3 xs v2."""