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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
- Using strings to create Featurizations via GraphNodeFeaturization doesn't work with things other than ElementFeatureDescriptors HOT 1
- 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
- pretty printing for `FeaturizedAtoms`
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