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export CUDA_VISIBLE_DEVICES=1
python -u generate.py \
--config /scratch/pranamlab/tong/pCoMol/configs/config_peptide.yaml \
--ckpt /scratch/pranamlab/tong/pCoMol/peptide/ckpt/peptide_EditFlow.ckpt \
--num_steps 8 \
--op_temperature 1 \
--token_temperature 1 \
--input 'AASALKSOQIWCPPAL'
# Selfies:
# --ckpt /scratch/pranamlab/tong/cope/editflows/outputs/2025.11.05/011146/checkpoint/epoch0090-val29.90.ckpt \
# Smiles:
# --ckpt /scratch/pranamlab/tong/cope/editflows/outputs/smiles_lr3e-4_epoch100_scale1.5_optimal0/checkpoint/epoch0098-val17.62.ckpt

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