yiino

How to handle similarity/distance matrix with sketchmap ?

7

As far as I can understand, glosim tool generates similarity or distance matrix between the molecules or the structures. While, sketchmap tool handle the high dimensional input data. How can...

Cannot execute the sample code in the ESI of Chem. Sci., 2018, 9, 1289.

2

Hi, Thanks for providing the algorithms. I just installed the quippy and tried the glosim. I tried the code in electronic supplementary materials for the paper Chem. Sci., 2018, 9,...