Published December 16, 2022 | Version v1
Dataset Open

Conformation Database for Publication: Applying Deep Reinforcement Learning to the HP Model for Protein Structure Prediction

  • 1. Department of Computer Science, School of Computing, National University of Singapore, 117417, Singapore
  • 2. Institute of Automation, Chinese Academy of Sciences, Beijing, 100190, China
  • 3. EXN SIA, Jurmala, Latvia
  • 4. NVIDIA Seattle Robotics Lab, Redmond, 98052, WA, United States
  • 5. Department of Physics, City University of Hong Kong, 83 Tat Chee Avenue, Kowloon, Hong Kong, China

Description

Conformation database for 2022 Publication "Applying Deep Reinforcement Learning to the 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

Notes

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}, }

Files

20merA.zip

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