Comments (3)
rkurchin
commented on September 13, 2024
1
It's sort of in the general spirit of interpretability/readability of features. Just the idea of using Unitful.jl to attach units to all the quantities that get encoded. It wouldn't change anything about how the models work or anything.
from chemistryfeaturization.jl.
thazhemadam
commented on September 13, 2024
@rkurchin what exactly do you have in mind? Some details/examples might help.
from chemistryfeaturization.jl.
thazhemadam
commented on September 13, 2024
Hmm, I understand. Using a decorator for implementing this might be a clean solution imo.
from chemistryfeaturization.jl.
Related Issues (20)
- 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`
- #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
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from chemistryfeaturization.jl.