amr abdallah
amr abdallah
yes ...it is pretty useful however I believe that distances should be used to allow nodes positional encoding. I mean something like IPA (invariant point attention) or schnet like encoding...
Thanks Dr Mobley for replying. No I am not affiliated with David Huggins. I was just trying to implement a move that change randomly the atoms to be perturbed every...
The movement which i want to do involves separate molecules in which one molecule is picked up randomly and perturbed. It is basically different from the article example in which...
Can anyone please upload this dataset again. The main link is broken
which code was used for atom mapping to prepare the data set ?
@shiyu1994 @volltin can you please check the missing script?