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AFCP

Setups

mamba create -n astra python=3.12
mamba activate astra

pip install torch==2.7.1 torchvision==0.22.1 torchaudio==2.7.1 --index-url https://download.pytorch.org/whl/cu126

git clone https://github.com/zhaisilong/astra
cd astra

pip install -e ".[dev]"

Data Curation

python 1.init_jobs.py
python 2.gen_af3_config.py

afrun predict --data_dir=afdbcp --job_id=1b5n
afrun eval --data_dir=afdbcp --job_id=1b5n

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AFCP: Harnessing AlphaFold3 for General Cyclic Peptide Modeling

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