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README.md
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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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| Protein | File | Description |
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|---------|------|-------------|
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## References
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**Transferable coarse-grained model:**
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>
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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
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