pCoMole/gfp/scripts/pcomol.sh

export CUDA_VISIBLE_DEVICES=0

python -u pcomol_locked_rates.py \
--config /scratch/pranamlab/tong/pCoMol/configs/config_gfp.yaml \
--ckpt /scratch/pranamlab/tong/pCoMol/gfp/ckpt/GFP_EditFlows.ckpt \
--num_steps 10 \
--num_candidates 50 \
--num_rollouts 10 \
--objective_weights 1 1 \
--output_file '/scratch/pranamlab/tong/pCoMol/gfp/samples/eGFP_v2/gfp.csv' \
--input 'MVSKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLTYGVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITLGMDELYK' 

# python -u pcomol_batch_multi_edits_log_length.py \
# --config /scratch/pranamlab/tong/pCoMol/configs/config_gfp.yaml \
# --ckpt /scratch/pranamlab/tong/pCoMol/gfp/ckpt/lr1e-5_epoch500_scale0.5_optimal0_uniprot_mt4096_leq350_n50k_lr1e-5_ge_1_gr_1.ckpt \
# --num_steps 10 \
# --num_candidates 50 \
# --num_rollouts 10 \
# --objective_weights 3 1 \
# --output_file './samples/uniprot/length_brightness.csv' \
# --input 'MSKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFSYGVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITHGMDELYK' \

# python -u pcomol_batch_multi_edits_log_length.py \
# --config /scratch/pranamlab/tong/pCoMol/configs/config_gfp.yaml \
# --ckpt /scratch/pranamlab/tong/pCoMol/gfp/ckpt/lr1e-5_epoch500_scale0.5_optimal0_uniprot_mt4096_leq350_n50k_lr1e-5_ge_1_gr_1.ckpt \
# --num_steps 10 \
# --num_candidates 50 \
# --num_rollouts 10 \
# --objective_weights 3 1 \
# --output_file './samples/uniprot/length_excitation.csv' \
# --input 'MSKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFSYGVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITHGMDELYK' \

# python -u pcomol_batch_multi_edits_log_length.py \
# --config /scratch/pranamlab/tong/pCoMol/configs/config_gfp.yaml \
# --ckpt /scratch/pranamlab/tong/pCoMol/gfp/ckpt/lr1e-5_epoch500_scale0.5_optimal0_uniprot_mt4096_leq350_n50k_lr1e-5_ge_1_gr_1.ckpt \
# --num_steps 10 \
# --num_candidates 50 \
# --num_rollouts 10 \
# --objective_weights 1 \
# --output_file './samples/uniprot/length.csv' \
# --input 'MSKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFSYGVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITHGMDELYK' \