| results_path="./test" |
| batch_size=8 |
| weight_path="checkpoint_best_seed.pt" |
|
|
| TASK="DUDE" |
|
|
| CUDA_LAUNCH_BLOCKING=1 PYTHONFAULTHANDLER=1 CUDA_VISIBLE_DEVICES="1" python ./unimol/test.py --user-dir ./unimol $data_path "./data" --valid-subset test \ |
| --results-path $results_path \ |
| --num-workers 0 --ddp-backend=c10d --batch-size $batch_size \ |
| --task drugclip --loss in_batch_softmax --arch drugclip \ |
| --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 \ |
|
|
