From 720b2a822cc3d84486a1f95454770eb1eea4ed9f Mon Sep 17 00:00:00 2001 From: Mark Neumann Date: Mon, 2 Sep 2024 18:31:03 -0700 Subject: [PATCH] update models --- MODELS.md | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/MODELS.md b/MODELS.md index f89acbc..71f0e47 100644 --- a/MODELS.md +++ b/MODELS.md @@ -5,9 +5,9 @@ |------------|------|----------|---------------------|-----------------|-------| | **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]() | Coming Soon | 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 | 10 layer model pretrained on bulk data, finetuned on adsorption + bulk | -| **orb-d3-xs-v1** | [link](https://storage.googleapis.com/orbitalmaterials-public-models/forcefields/orb-d3-xs-v1-20240902.ckpt) | 79d042f9f16c4407795426a75498fbb7 | No | Yes | 5 layer model pretrained on bulk data, finetuned on adsorption + bulk | +| **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 |