README.md

CoPRA

This is the official dataset for CoPRA: Bridging Cross-domain Pretrained Sequence Models with Complex Structures for Protein-RNA Binding Affinity Prediction.

Environment setup

mamba env create -f environment.yml

Datasets and weights

On the way...

Run finetune on PRA310

python run finetune --model_config ./config/models/esm2_650M_rinalmo_struct.yml --data_config ./config/datasets/pdbbind_struct.yml --run_config ./config/runs/finetune_struct.yml

Run Pre-training

python run finetune pretune --model_config ./config/models/esm2_650M_rinalmo_struct.yml --data_config ./config/datasets/biolip.yml --run_config ./config/runs/pretune_struct.yml