EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers
Paper • 2604.09130 • Published
EquiformerV3:
Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers
This repository contains the checkpoints of the work "EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers". Please refer to the code for detailed description of usage.
Content
MPtrj
| Model | Training data | Checkpoint |
| EquiformerV3 | MPtrj | mptrj_gradient.pt |
OMat24 → MPtrj and sAlex
Training consists of (1) direct pre-training on OMat24, (2) gradient fine-tuning on OMat24 initialized from (1), and (3) gradient fine-tuning on MPtrj and sAlex initialized from (2).| Model | Training data | Config | Checkpoint |
| EquiformerV3 (direct pre-training) | OMat24 | omat24_direct.yml | omat24_direct.pt |
| EquiformerV3 (gradient fine-tuning) | OMat24 | omat24_gradient.yml | omat24_gradient.pt |
| EquiformerV3 (gradient fine-tuning) | MPtrj and sAlex | mptrj-salex_gradient.yml | omat24-mptrj-salex_gradient.pt |
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