Training

You can train a model with python run.py. Check out the --help option for a list of available parameters. Run run.sh to download the data, run some experiments and test the results.

Install the necessary requirements with python -m pip install -r requirements.txt first.

Evaluation

To evaluate a model on the test set, use the same command with --test and --load_experiment options.

python run.py  --test --load_experiment experiment_name

For more information, check out the --help option. The dataset is expected to be in ProteinFlow format, in training, validation and test folders located at the dataset path.

References

This code was adapted from ProteinMPNN.