Implement one-hot atom and bond featurisers
Open
- Dominant language
- C++
- Stars
- 406
- Forks
- 134
- Avg merge
- 2d 11h
- Merged PRs (30d)
- 24
Description
Along with featurisers mentioned in #622, one-hot featurisers might be helpful as well.
ToDo
Add the following one-hot featurisers:
Atoms:
- atom degree
- isotope
- charge
- valency
- radical
- count of implicit hydrogens
- stereocenter type
Edges:
- bond order
- ring/chain
- is aromatic
- cis/trans
- up/down
Add simple test for each featuriser
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