This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• li2s-traj.npz: A .npz file containing the molecular dynamics simulation trajectories of the Li-S toy system.
• li2s-traj-graph-train.npz: A .npz file containing the training data for the Li-S toy system after preprocessing.
• li2s-traj-graph-val.npz: A .npz file containing the validation data for the Li-S toy system after preprocessing.
• li2s-traj-graph-test.npz: A .npz file containing the testing data for the Li-S toy system after preprocessing.
• siau-traj.npz: A .npz file containing the molecular dynamics simulation trajectories of the Si-Au binary system.
• peo-traj-a.npz: A .npz file containing the molecular dynamics simulation trajectories of the PEO/LiTFSI binary system.
• peo-traj-b.npz: A .npz file containing the molecular dynamics simulation trajectories of the PEO/LiTFSI binary system.
• peo-traj-c.npz: A .npz file containing the molecular dynamics simulation trajectories of the PEO/LiTFSI binary system.
• peo-traj-d.npz: A .npz file containing the molecular dynamics simulation trajectories of the PEO/LiTFSI binary system.
• peo-traj-e.npz: A .npz file containing the molecular dynamics simulation trajectories of the PEO/LiTFSI binary system.
• README.txt: README file for this data.