Junsu Ko

Results 2 comments of Junsu Ko

I have been testing with this issue and I think the cause is in UniRef30. The bdf+uniclust30_2018_08 works without any problems, while the bfd+UniRef30_2022_02 always shows the same error.

The file I created myself has the following non-zero values. ```bash $ python -m mordred -3 Test_Compounds_3D.sdf -o Test_Compounds_3D.mordred.csv $ cat Test_Compounds_3D.mordred.csv | cut -d ',' -f 1,1561,1562,1563,1564,1565,1566,1567 name,VSA_EState1,VSA_EState2,VSA_EState3,VSA_EState4,VSA_EState5,VSA_EState6,VSA_EState7 ADQ,11.718160420815336,47.42857699012404,34.05060062906003,3.078153942379781,-0.33326002742329375,14.99573145325298,-1.9379634082088582...