LigUnity / test.sh
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提交LigUnity初始代码
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batch_size=256
TASK=${1}
arch=${2}
weight_path=${3}
results_path=${4}
echo "writing to ${results_path}"
mkdir -p $results_path
python ./unimol/test.py "./test_datasets" --user-dir ./unimol --valid-subset test \
--results-path $results_path \
--num-workers 8 --ddp-backend=c10d --batch-size $batch_size \
--task test_task --loss rank_softmax --arch $arch \
--fp16 --fp16-init-scale 4 --fp16-scale-window 256 --seed 1 \
--path $weight_path \
--log-interval 100 --log-format simple \
--max-pocket-atoms 511 \
--test-task $TASK