This is the repository for USTC-MSRA 2023 Innovation Project, with the topic of Dynamic Simulation.
⭐ Report ⭐
projs/ contains the code and data for each task:
| Name | Content |
|---|---|
| acc_md_with_ai | Accelerating MD simulation with neural networks. |
| foundation_model | Application of foundation models in MD simulation. |
| integrator | Several numerical integration methods. |
| md_example | Several MD examples. |
| md_from_scratch | Building an MD simulation program from scratch. |
| vanilla_python_impl | Vanilla Python implementation of MLP and Transformer. |
| x_body | Simulation of the n-body system. |