Comments (1)
Thanks for pointing this out, this definitely needs to be fixed! Will be sure to address in next version tag.
(The issue is that right now that convenience constructor for GraphNodeFeaturization
assumes that everything is an ElementFeatureDescriptor
because when I implemented it, SpeciesFeatureDescriptor
didn't exist yet 😉)
from chemistryfeaturization.jl.
Related Issues (20)
- #92 might not be a sustainable fix HOT 1
- move `output_file_path` to positional arguments in `AtomGraph` constructor from file
- PyCall may be a CI hurdle HOT 4
- `visualize(::AtomGraph)` should write to file HOT 1
- `AtomGraph`s can't be built from files if a relative path is provided
- Change from DiffEqBase to SciMLBase HOT 1
- make `featurization` in `FeaturizedAtoms` a `const` once Julia 1.8 is released
- Coulomb Matrix featurization
- Use Intervals.jl in onehot-decode
- finish updating WeaveModel-related stuff for restructure HOT 5
- some `ElementFeature` convenience functions HOT 5
- make `SpeciesFeature` implementations, tests HOT 9
- fix macOS CI HOT 2
- make `DummyFeaturization` HOT 1
- make a `validate_features` function
- make `validate_features` function HOT 1
- custom broadcast for featurize
- improve/expand tests for FeaturizedAtoms, encoding HOT 2
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from chemistryfeaturization.jl.