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hgbrian/adaptyv_r2_EGFR.sh

Last active October 30, 2024 09:33
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Adaptyv round 2 -- run BindCraft and RSO on EGFR domain 3
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adaptyv_r2_EGFR.sh
# with modal installed https://modal.com/docs/guide
git clone https://github.com/hgbrian/biomodals
cd biomodals
wget https://gist.githubusercontent.com/hgbrian/affd44dc63c6fb01a5a9620c24c74b26/raw/fac48e464dc3fe9d7224fe84ce1bd475667cba36/6aru_final_chain_A_domain_3.pdb
TIMEOUT=120 GPU=A100 modal run modal_bindcraft.py --input-pdb 6aru_final_chain_A_domain_3.pdb --number-of-final-designs 1
TIMEOUT=120 GPU=A100 modal run modal_rso.py --input-pdb 6aru_final_chain_A_domain_3.pdb --num-designs 5
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