wensm77

how to reproduce 4.85 median rmsa in your papre? use `datasets/DIPS/data_file_100_test.csv` and `src/inference.sh` and see the rmsd in the output?

Processing raw data error

3

hi！ When I use your code to process cif files, I get an error. I checked the code, you did not pass in ‘covalents’ when you finally returned it. ...