README.md

MultiCycPermea

Data

We supply the split csv_file, it include SMILES of cyclic peptide. As for image, we supply the code (draw_peptide_images.py) to draw.

Train

CUDA_VISIBLE_DEVICES={n}  python main.py --use_image_info True/False --feature_cmb_type concate

Test

It same as train， you can change the setting in test.py.

You can download the pretrained image_encoder and text_encoder are in here.