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HCLBind Implementation

1. Environment Setup

conda env create -f environment.yml
conda activate hclbind-env

2. Usage

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 $ROOTDIR

Pretrain

python pretrain.py --config config/pretrain.yaml

Finetune

python finetune.py --config config/finetune.yaml --ckpt outputs/final_ckpt

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