From what I've seen, most use molecular fingerprints or cheminformatic descriptors such as RDKit provides. Google and Vijay Pande's group at Stanford had a recent publication on Molecular Graph Convolutions. I believe a…
Where I work we refer to guidelines like this as code smell. These are cues that refactoring should be considered but not strict rules which would prevent a commit.
From what I've seen, most use molecular fingerprints or cheminformatic descriptors such as RDKit provides. Google and Vijay Pande's group at Stanford had a recent publication on Molecular Graph Convolutions. I believe a…
Where I work we refer to guidelines like this as code smell. These are cues that refactoring should be considered but not strict rules which would prevent a commit.