moPPIt / scripts /bindevaluator.sh
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Update scripts/bindevaluator.sh
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export CUDA_VISIBLE_DEVICES=0
python -u bindevaluator.py \
-target MHVPSGAQLGLRPDLLARRRLKRCPSRWLCLSAAWSFVQVFSEPDGFTVIFSGLGNNAGGTMHWNDTRPAHFRILKVVLREAVAECLMDSYSLDVHGGRRTAAG \
-binder YVEICRCVVC \
-sm ./classifier_ckpt/finetuned_BindEvaluator.ckpt \
-n_layers 8 \
-d_model 128 \
-d_hidden 128 \
-n_head 8 \
-d_inner 64