$ python casp_eval.py --templates templates.fasta --query casp.fasta --model_weights checkpoint.pt --device cuda:0 --out_file folds.csv
$ python casp_eval.py -h
usage: Evaluation on CASP Targets [-h] --templates TEMPLATES --query QUERY
--model_weights MODEL_WEIGHTS
[--device DEVICE]
[--minibatch_size MINIBATCH_SIZE]
[--log_file LOG_FILE]
[--log_level LOG_LEVEL]
[--out_file OUT_FILE]
optional arguments:
-h, --help show this help message and exit
--templates TEMPLATES
Path to fasta file with template sequences
--query QUERY Path to fasta file with query sequence(s)
--model_weights MODEL_WEIGHTS
Path to file with model checkpoint
--device DEVICE CUDA device, if available
--minibatch_size MINIBATCH_SIZE
Minibatch size, depends on available memory
--log_file LOG_FILE
--log_level LOG_LEVEL
--out_file OUT_FILE Path for CSV output; stdout if not specified
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