finetune_demo.sh

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export LAYERNORM_TYPE=fast_layernorm
export USE_DEEPSPEED_EVO_ATTTENTION=true
export CUTLASS_PATH=/n/holylabs/LABS/mzitnik_lab/Users/zaixizhang/cutlass
# wget -P /af3-dev/release_model/ https://af3-dev.tos-cn-beijing.volces.com/release_model/model_v0.2.0.pt
module load gcc/9.5.0-fasrc01
module load cuda/12.4.1-fasrc01
export CC=$(which gcc)
export CXX=$(which g++)
export CUDA_HOME=/n/sw/helmod-rocky8/apps/Core/cuda/12.4.1-fasrc01/cuda
export PATH=$CUDA_HOME/bin:$PATH
export LD_LIBRARY_PATH=$CUDA_HOME/lib64:$LD_LIBRARY_PATH
checkpoint_path="/n/netscratch/mzitnik_lab/Lab/zzx/af3-model/model_v0.2.0.pt"


python3 ./runner/train.py \
--run_name protenix_new_finetune \
--seed 41 \
--base_dir /n/netscratch/mzitnik_lab/Lab/zzx/output \
--dtype bf16 \
--project protenix \
--use_wandb True \
--diffusion_batch_size 48 \
--eval_interval 10000 \
--log_interval 5 \
--checkpoint_interval 200 \
--ema_decay 0.999 \
--train_crop_size 384 \
--max_steps 10000 \
--warmup_steps 2000 \
--lr 0.001 \
--sample_diffusion.N_step 20 \
--load_checkpoint_path ${checkpoint_path} \
--load_ema_checkpoint_path ${checkpoint_path} \
--data.train_sets weightedPDB_before2109_wopb_nometalc_0925 \
--data.test_sets recentPDB_1536_sample384_0925