MSR-DynamicSimulation

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MSR-DynamicSimulation

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This is the repository for USTC-MSRA 2023 Innovation Project, with the topic of Dynamic Simulation.

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# MSR - Dynamic Simulation

This is the repository for [USTC-MSRA 2023 Innovation Project](https://sist.ustc.edu.cn/2023/0302/c5142a593670/page.htm), with the topic of **Dynamic Simulation**.

:star: [Report](docs/report/main.pdf) :star:

## Project Structure

`projs/` contains the code and data for each task:

|                             Name                             |                        Content                        |
| :----------------------------------------------------------: | :---------------------------------------------------: |
| [acc_md_with_ai](https://github.com/Jerry-Kwan/MSR-DynamicSimulation/tree/main/projs/acc_md_with_ai) |   Accelerating MD simulation with neural networks.    |
| [foundation_model](https://github.com/Jerry-Kwan/MSR-DynamicSimulation/tree/main/projs/foundation_model) |  Application of foundation models in MD simulation.   |
| [integrator](https://github.com/Jerry-Kwan/MSR-DynamicSimulation/tree/main/projs/integrator) |        Several numerical integration methods.         |
| [md_example](https://github.com/Jerry-Kwan/MSR-DynamicSimulation/tree/main/projs/md_example) |                 Several MD examples.                  |
| [md_from_scratch](https://github.com/Jerry-Kwan/MSR-DynamicSimulation/tree/main/projs/md_from_scratch) |    Building an MD simulation program from scratch.    |
| [vanilla_python_impl](https://github.com/Jerry-Kwan/MSR-DynamicSimulation/tree/main/projs/vanilla_python_impl) | Vanilla Python implementation of MLP and Transformer. |
| [x_body](https://github.com/Jerry-Kwan/MSR-DynamicSimulation/tree/main/projs/x_body) |           Simulation of the n-body system.            |

MSR-DynamicSimulation

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