conda env create -f environment.yml
conda activate hclbind-env
Download model weights (https://drive.google.com/drive/folders/1tKDuAs9hobOurKvSOOGlTucNMtDhu9uh?usp=sharing), extract them to outputs/final_ckpt and outputs/pretrain_ckpt.
export ROOTDIR=/PATH-TO/HCLBind/
cd $ROOTDIRpython pretrain.py --config config/pretrain.yamlpython finetune.py --config config/finetune.yaml --ckpt outputs/final_ckpt