| batch_size=128 |
|
|
| lig_file=${1} |
| prot_file=${2} |
| uniprot=${3} |
| arch=${4} |
| weight_path=${5} |
| results_path=${6} |
| echo "writing to ${results_path}" |
|
|
| mkdir -p $results_path |
| python ./unimol/test.py "./vocab" --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 --demo-lig-file $lig_file --demo-prot-file $prot_file --demo-uniprot $uniprot \ |
| --test-task DEMO |
|
|
