Uni-Mol offers a simple and effective SE(3) equivariant transformer architecture for pre-training molecular representations that capture 3D information. The model is trained on >200M conformations. The current model outputs a representation embedding.
- EOS model ID:
eos39co - Slug:
unimol-representation
- Input:
Compound - Input Shape:
Single - Task:
Representation - Output:
Descriptor - Output Type:
Float - Output Shape:
List - Interpretation: Uni-Mol representation embedding
- Publication
- Source Code
- Ersilia contributor: miquelduranfrigola
If you use this model, please cite the original authors of the model and the Ersilia Model Hub.
This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a GPL-3.0-only license.
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