DeepGraphLearning/torchdrug

class Molecule(Graph), definition of "self.atom2valence"

teltim opened this issue · 0 comments

teltim commented

  1. Why "self.atom2valence" is restlicted for several atoms only in the definition?

  2. Why the vakence is not atom2valence = {1: 1, 5: 3, 6: 4, 7: 5, 8: 6, 9: 7,
    but atom2valence = {1: 1, 5: 3, 6: 4, 7: 3, 8: 2, 9: 1, (in the code) ... ?