nghiahhnguyen/shrec-protein-domains

This is team HCMUS's codebase for the SHREC'21 track: Retrieval and classification of protein surfaces equipped with physical & chemical properties.

SHREC-protein-domains

This is team HCMUS's codebase for the SHREC'21 track: Retrieval and classification of protein surfaces equipped with physical & chemical properties

Installation

Our method use the PyTorch Geometric package. We provide instructions to install the package below. Alternatively, a more elaborated installation instruction can be found on the package documents page.

Open the file install_torch_geometric.sh file. Modify the value 1.7.0 and cu110 on the first line by PyTorch version (1.4.0, 1.5.0, 1.6.0, 1.7.0) (You should round your PyTorch version to the second version number e.g., if your PyTorchVersion is 1.6.3, you should replace 1.7.0 in the original file with 1.6.0) and your specific CUDA version (cpu, cu92, cu101, cu102, cu110).

Run

bash install_torch_geometric.sh

Run code

The code can be run from the file main.py. A sample command can be found in run.sh. You can run the sample command by running:

bash run.sh

If you want to know the meaning of the arguments, you can find more details in the file main.py

Submission generation

To generate submission packages for the corresponding method/checkpoint, run

python evaluation.py --method [method/checkpoint]