Structural Similarity Prediction
Collection
This group contains all relative training datasets and model checkpoints trained on these datasets for Structural Similarity Prediction. • 2 items • Updated
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Description
Structure Similarity Prediction predicts the (aligned) Local Distance Difference Test (LDDT) of the structures given an unaligned pair of proteins. Target values are computed after alignment with TM-align for all pairs of 1000 randomly sampled single-chain proteins.
Protein Format: SA sequence(PDB)
Splits
The dataset is from ProteinShake Building datasets and benchmarks for deep learning on protein structures. We use the splits based on 70% structure similarity, with the number of training, validation and test set shown below:
- Train: 300699
- Valid: 4559
- Test: 4850
Label
The label means the (aligned) Local Distance Difference Test (LDDT) of the structures given an unaligned pair of proteins. Target values are computed after alignment with TM-align for all pairs of 1000 randomly sampled single-chain proteins. This value ranges from 0 to 1.
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