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  # CGSchNet: Coarse-Grained SchNet Model
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- Pre-trained coarse-grained SchNet neural network force field for molecular dynamics simulation of proteins.
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  ## Model
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  ## Initial Configurations
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- Batched initial configurations (batch size 32) for each protein, located in `configurations/`:
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  | Protein | File | Description |
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  |---------|------|-------------|
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  ## References
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  **Transferable coarse-grained model:**
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- > Li, P., Chen, Y., Musil, F., et al. Transferable coarse-grained models of proteins by graph neural network and automatic differentiation. *Nature Chemistry* (2025). https://doi.org/10.1038/s41557-025-01874-0
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  **FlashMD acceleration:**
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  > Li, P., Li, H., Liu, Z., Lin, X., & Chen, T. FlashSchNet: Fast and Accurate Coarse-Grained Neural Network Molecular Dynamics. *arXiv:2602.13140* (2026). https://arxiv.org/abs/2602.13140
 
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  # CGSchNet: Coarse-Grained SchNet Model
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+ Pre-trained coarse-grained SchNet neural network force field for molecular dynamics simulation of proteins. Exactly copied from CGSchNet [Charron et. al. 2025].
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  ## Model
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  ## Initial Configurations
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+ Initial configurations for each protein, located in `configurations/`:
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  | Protein | File | Description |
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  |---------|------|-------------|
 
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  ## References
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  **Transferable coarse-grained model:**
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+ > Charron, N.E., Bonneau, K., Pasos-Trejo, A.S. et al. Navigating protein landscapes with a machine-learned transferable coarse-grained model. Nat. Chem. 17, 1284–1292 (2025). https://doi.org/10.1038/s41557-025-01874-0.
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  **FlashMD acceleration:**
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  > Li, P., Li, H., Liu, Z., Lin, X., & Chen, T. FlashSchNet: Fast and Accurate Coarse-Grained Neural Network Molecular Dynamics. *arXiv:2602.13140* (2026). https://arxiv.org/abs/2602.13140