#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