scripts/ └── gen_figure.py # Script for generating dG comparison plots based on result_dG.csv uni_fep_benchmarks/ │── system_1/ │ ├── README.md # Brief description of the system │ ├── protein.pdb # ...
liquid-metal-antenna-optimizer/ ├── solvers/ # EM simulation engines │ ├── fdtd/ # Differentiable FDTD │ │ ├── cuda_kernels/ # Custom CUDA kernels │ │ ├── autodiff/ # AD implementation │ │ └── pml/ # ...
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