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finetune_demo.sh
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# Copyright 2024 ByteDance and/or its affiliates.
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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export LAYERNORM_TYPE=fast_layernorm
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export USE_DEEPSPEED_EVO_ATTTENTION=true
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export CUTLASS_PATH=/n/holylabs/LABS/mzitnik_lab/Users/zaixizhang/cutlass
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# wget -P /af3-dev/release_model/ https://af3-dev.tos-cn-beijing.volces.com/release_model/model_v0.2.0.pt
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module load gcc/9.5.0-fasrc01
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module load cuda/12.4.1-fasrc01
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export CC=$(which gcc)
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export CXX=$(which g++)
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export CUDA_HOME=/n/sw/helmod-rocky8/apps/Core/cuda/12.4.1-fasrc01/cuda
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export PATH=$CUDA_HOME/bin:$PATH
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export LD_LIBRARY_PATH=$CUDA_HOME/lib64:$LD_LIBRARY_PATH
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checkpoint_path="/n/netscratch/mzitnik_lab/Lab/zzx/af3-model/model_v0.2.0.pt"
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python3 ./runner/train.py \
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--run_name protenix_new_finetune \
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--seed 41 \
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--base_dir /n/netscratch/mzitnik_lab/Lab/zzx/output \
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--dtype bf16 \
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--project protenix \
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--use_wandb True \
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--diffusion_batch_size 48 \
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--eval_interval 10000 \
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--log_interval 5 \
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--checkpoint_interval 200 \
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--ema_decay 0.999 \
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--train_crop_size 384 \
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--max_steps 10000 \
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--warmup_steps 2000 \
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--lr 0.001 \
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--sample_diffusion.N_step 20 \
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--load_checkpoint_path ${checkpoint_path} \
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--load_ema_checkpoint_path ${checkpoint_path} \
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--data.train_sets weightedPDB_before2109_wopb_nometalc_0925 \
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--data.test_sets recentPDB_1536_sample384_0925
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