LigandMPNN をテンプレートにして作成
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開始行:
github [[https://github.com/dauparas/LigandMPNN>+https://...
#code(nonumber){{
git clone https://github.com/dauparas/LigandMPNN.git
cd LigandMPNN
bash get_model_params.sh "./model_params"
#setup your conda/or other environment
#conda create -n ligandmpnn_env python=3.11
#pip3 install -r requirements.txt
python run.py \
--seed 111 \
--pdb_path "./inputs/1BC8.pdb" \
--out_folder "./outputs/default"
}}
終了行:
github [[https://github.com/dauparas/LigandMPNN>+https://...
#code(nonumber){{
git clone https://github.com/dauparas/LigandMPNN.git
cd LigandMPNN
bash get_model_params.sh "./model_params"
#setup your conda/or other environment
#conda create -n ligandmpnn_env python=3.11
#pip3 install -r requirements.txt
python run.py \
--seed 111 \
--pdb_path "./inputs/1BC8.pdb" \
--out_folder "./outputs/default"
}}
ページ名:
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