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Conformation database for 2022 Publication "Applying Deep Reinforcement Learning to the HP Model for Protein Structure Prediction" DOI of Physica A publication: https://doi.org/10.1016/j.physa.2022.128395 GitHub source code: https://github.com/CompSoftMatterBiophysics-CityU-HK/Applying-DRL-to-HP-Model-for-Protein-Structure-Prediction This conformation database shows the distinct conformations of best-known and next best energies: ├── 20merA │ ├── 20merA_E8_set │ ├── 20merA_E9_set │ ├── confs_20merA_E8.txt │ └── confs_20merA_E9.txt ├── 20merB │ ├── 20merB_E10_set │ ├── 20merB_E9_set │ ├── confs_20merB_E10.txt │ └── confs_20merB_E9.txt ├── 24mer │ ├── 24mer_E8_set │ ├── 24mer_E9_set │ ├── confs_24mer_E8.txt │ └── confs_24mer_E9.txt ├── 25mer │ ├── 25mer_E7_set │ ├── 25mer_E8_set │ ├── confs_25mer_E7.txt │ └── confs_25mer_E8.txt ├── 36mer │ ├── 36mer_E13_set │ ├── 36mer_E14_set │ ├── confs_36mer_E13.txt │ └── confs_36mer_E14.txt ├── 48mer │ ├── 48mer_E22_set │ ├── 48mer_E23_set │ ├── confs_48mer_E22.txt │ └── confs_48mer_E23.txt └── 50mer ├── 50mer_E20_set ├── 50mer_E21_set ├── confs_50mer_E20.txt └── confs_50mer_E21.txt
Please cite the Physica A journal publication: @article{DRL-HP-model-DQN-YANG-PhysicaA, title = {Applying deep reinforcement learning to the HP model for protein structure prediction}, journal = {Physica A: Statistical Mechanics and its Applications}, volume = {609}, pages = {128395}, year = {2023}, issn = {0378-4371}, doi = {https://doi.org/10.1016/j.physa.2022.128395}, url = {https://www.sciencedirect.com/science/article/pii/S0378437122009530}, author = {Kaiyuan Yang and Houjing Huang and Olafs Vandans and Adithya Murali and Fujia Tian and Roland H.C. Yap and Liang Dai}, }
Reinforcement learning, Protein structure, Deep Q-network, HP model, Self-avoiding walks
Reinforcement learning, Protein structure, Deep Q-network, HP model, Self-avoiding walks
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