inference_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
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

N_sample=5
N_step=200
N_cycle=10
seed=112
use_deepspeed_evo_attention=true
input_json_path="./examples/example_with_msa.json"
dump_dir="./output"
#load_checkpoint_path="/n/netscratch/mzitnik_lab/Lab/zzx/af3-model/model_v0.2.0.pt"
load_checkpoint_path='./checkpoint.pt'

python3 runner/inference.py \
--seeds ${seed} \
--load_checkpoint_path ${load_checkpoint_path} \
--dump_dir ${dump_dir} \
--input_json_path ${input_json_path} \
--model.N_cycle ${N_cycle} \
--sample_diffusion.N_sample ${N_sample} \
--sample_diffusion.N_step ${N_step}