Giters
kjappelbaum
/
oximachinerunner
An easy API for using oximachine.
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Stargazers:
7
Watchers:
3
Issues:
33
Forks:
5
kjappelbaum/oximachinerunner Issues
Model migration
Updated
9 months ago
Comments count
1
migrate to ruff
Updated
10 months ago
instantiation error
Updated
a year ago
Comments count
1
update with retrained model that fixes issues for some rare oxidation states
Updated
2 years ago
also accept `IStructure`
Updated
2 years ago
use pystow
Updated
2 years ago
make it Python 3.9 compatible
Updated
3 years ago
Comments count
6
shap importance sometimes misleading
Updated
3 years ago
weight the different predictions in the ensemble
Updated
3 years ago
Pymatgen version conflict
Closed
3 years ago
cleaner exceptions when input structure is not suitable?
Closed
3 years ago
Comments count
14
check a simple feedforward NN
Updated
3 years ago
Comments count
2
cache also predictions
Updated
3 years ago
Comments count
1
check sensitivity to cell standardization
Closed
3 years ago
Comments count
1
add tests via xyz export of StructureData
Closed
3 years ago
move models to zenodo
Closed
3 years ago
Comments count
1
load model only upon first use?
Closed
3 years ago
Comments count
7
detect symmetry equivalent site and avoid duplicating the featurization
Closed
3 years ago
Comments count
2
make compatible with new sklearn versions
Updated
3 years ago
Comments count
3
feature names as attribute or property
Closed
3 years ago
Comments count
1
allow installation under python 3.8?
Closed
3 years ago
Comments count
3
base predictions return indices instead of the class names
Closed
3 years ago
I think we need to be able to set the classes
Closed
3 years ago
Comments count
1
use float32 for the models to make them smaller
Updated
3 years ago
test both models
Closed
3 years ago
Add API endpoint for uncertainty estimate
Closed
3 years ago
model and version in repr
Closed
3 years ago
Comments count
1
Add some docs on Readthedocs
Closed
4 years ago
Comments count
2
test which python versions we can support
Closed
4 years ago
Comments count
1
domain of applicability indication using Gaussian mixture model
Updated
4 years ago
Dependabot couldn't authenticate with https://pypi.python.org/simple/
Closed
4 years ago
Find cleverer way to share the model
Closed
4 years ago
Comments count
3
Typing issues
Updated
4 years ago