| #source ../../../env.sh | |
| source ${ROCM_PATH}/cuda/env.sh | |
| export PYTHONPATH=$(pwd):$PYTHONPATH | |
| export DATA_ROOT_DIR=${ONESCIENCE_DATASETS_DIR}/protenix/ | |
| export HIP_VISIBLE_DEVICES=0 # 指定运行gpu | |
| python3 scripts/runner/train.py \ | |
| --run_name protenix_train \ | |
| --seed 42 \ | |
| --base_dir ./output \ | |
| --dtype bf16 \ | |
| --project protenix \ | |
| --use_wandb false \ | |
| --diffusion_batch_size 48 \ | |
| --eval_interval 400 \ | |
| --log_interval 50 \ | |
| --checkpoint_interval 400 \ | |
| --ema_decay 0.999 \ | |
| --train_crop_size 384 \ | |
| --max_steps 100000 \ | |
| --warmup_steps 2000 \ | |
| --lr 0.001 \ | |
| --sample_diffusion.N_step 20 \ | |
| --data.train_sets weightedPDB_before2109_wopb_nometalc_0925 \ | |
| --data.test_sets recentPDB_1536_sample384_0925,posebusters_0925 \ | |
| --data.posebusters_0925.base_info.max_n_token 768 | |