finetune_demo.sh

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# Licensed under the Apache License, Version 2.0 (the "License");
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#
#      http://www.apache.org/licenses/LICENSE-2.0
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export LAYERNORM_TYPE=fast_layernorm
export USE_DEEPSPEED_EVO_ATTENTION=true
# wget -P /af3-dev/release_model/ https://af3-dev.tos-cn-beijing.volces.com/release_model/protenix_base_default_v0.5.0.pt
checkpoint_path="/af3-dev/release_model/protenix_base_default_v0.5.0.pt"

python3 ./runner/train.py \
--model_name "protenix_base_constraint_v0.5.0" \
--run_name protenix_finetune \
--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 \
--load_checkpoint_path ${checkpoint_path} \
--load_ema_checkpoint_path ${checkpoint_path} \
--data.train_sets weightedPDB_before2109_wopb_nometalc_0925 \
--data.weightedPDB_before2109_wopb_nometalc_0925.base_info.pdb_list examples/finetune_subset.txt \
--data.test_sets recentPDB_1536_sample384_0925,posebusters_0925