Closed HB-pencil-zero closed 1 year ago
Hi,
It is happening in the conversion process from SMILES to graph structures: https://github.com/rampasek/GraphGPS/blob/6305368446275f9d5f3736d44bf265214d4f9a9b/graphgps/loader/dataset/pcqm4mv2_contact.py#L416
Best, Ladislav
Hello , could you please tell me which file you use to delete those graphs without contact pair? Tansks for your kindness Best regards .