About Masif

[huanggewudi]

I want to implement the comparison algorithm Masif as described in the article. I downloaded the code of Masif, but it was written in tensorflow1, while this article uses pytorch. I want to know how to use masif to replace the protein representation in this article. Can you share the code? Thank you very much!

[vsomnath]

We used the MaSIF code as is, and just updated the data preprocessing for the binding affinity task. Instead of MaSIF, I would recommend trying out dMaSIF(https://github.com/FreyrS/dMaSIF), which uses PyTorch and achieves comparable / better performance as MaSIF without any of the preprocessing overheads.