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@@ -24,10 +24,6 @@ ProFSADB is a large-scale protein-ligand interaction pretraining dataset generat
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  2. **Pocket Definition**: Excludes the five nearest residues on each fragment side to focus on long-range interactions. Pockets are defined as residues with ≥1 heavy atom within **6Å** of the fragment.
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  3. **Quality Control**: Complexes are filtered to retain only high-confidence interaction pairs.
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- **Intended Use**
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- - Pretrain pocket encoders for interaction-aware protein representation learning.
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- - Downstream tasks: Pocket druggability prediction, ligand binding affinity prediction, pocket matching, and de novo drug design.
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  **Unique Advantages**
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  - **Scale**: 50× larger than existing experimental complex datasets (e.g., PDB).
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  - **Interaction Modeling**: Contrastive pretraining aligns pocket features with pretrained small-molecule representations.
@@ -54,4 +50,9 @@ If you use ProFSADB or the ProFSA method, please cite:
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  **Links**
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  - **Paper**: [Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment](https://openreview.net/forum?id=uMAujpVi9m)
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- - **Homepage**: [Project Page](https://atomlab.yanyanlan.com/project/profsa/)
 
 
 
 
 
 
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  2. **Pocket Definition**: Excludes the five nearest residues on each fragment side to focus on long-range interactions. Pockets are defined as residues with ≥1 heavy atom within **6Å** of the fragment.
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  3. **Quality Control**: Complexes are filtered to retain only high-confidence interaction pairs.
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  **Unique Advantages**
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  - **Scale**: 50× larger than existing experimental complex datasets (e.g., PDB).
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  - **Interaction Modeling**: Contrastive pretraining aligns pocket features with pretrained small-molecule representations.
 
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  **Links**
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  - **Paper**: [Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment](https://openreview.net/forum?id=uMAujpVi9m)
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+ - **Homepage**: [Project Page](https://atomlab.yanyanlan.com/project/profsa/)
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+ # ProFSA Model Weights
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+ The weights of our best model pretrained using the ProFSADB data is located at `checkpoint_best.pt`.