Xinheng-He
commented
3 months ago Hi, please refer to the closed issue 1 or the following description, you did not download the ckpt file for unimol.
If auto-download fails, you can also download the checkpoints from https://huggingface.co/Xinheng/DeepGlycanSite/tree/main or https://zenodo.org/records/10065607, just put rec_only.ckpt and with_ligand.ckpt to ./ckpt, and mol_pre_all_h_220816.pt to ./src/unimol_tools/weights
你好！我在执行python single_case_prediction.py --conf P2Y14_example/hparams_rec.yaml --ckpt_path ckpts/rec_only.ckpt --input_fn P2Y14_example/P2Y14_AF.pdb --out_path P2Y14_example/ --output_fn P2Y14_af.txt 出现如下报错，请问是什么原因？