anthony-wang CrabNet issues

anthony-wang / CrabNet

Predict materials properties using only the composition information!

https://doi.org/10.1038/s41524-021-00545-1

MIT License

87 stars 27 forks source link

issues

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Reason to use pe_scaler and ple_scaler

#37 grmaier opened 11 months ago
0
AttributeError: 'SWA' object has no attribute '_optimizer_step_pre_hooks'. Did you mean: '_optimizer_step_code'?

#36 pbenner opened 1 year ago
0
Fix DOI hyperlinks

#35 anthony-wang closed 1 year ago
0
The order of the two hyperlinks on the "Publications / How to cite" module in the readme file seems to be reversed

#34 Rainsmumu closed 1 year ago
1
fork of crabnet had incorrect link

#33 sgbaird closed 1 year ago
0
Facing issue while importing model (from crabnet.model import Model)

#32 Preyansh1112 opened 1 year ago
1
Ver bump

#31 sgbaird closed 2 years ago
1
nan_to_num prior to mean_absolute_error when computing loss curve stats

#30 sgbaird closed 2 years ago
1
Add skipatom featurizer to the repository

#29 sgbaird opened 2 years ago
0
Parameter used for the results in the published work

#28 GuptaVishu2002 opened 2 years ago
0
Add interpretability (ExplainableGap paper)

#27 anthony-wang closed 2 years ago
0
Reproducing RooSt results, error using RooSt Colab example is higher than what's reported in CrabNet paper

#26 sgbaird opened 2 years ago
0
Extend features, documentation, type hints

#25 sgbaird closed 2 years ago
1
Extend EDM featurization (adding feature scaling and unary element features)

#24 anthony-wang closed 2 years ago
0
CrabNet matbench data, possible mismatch between submission notebook and results

#23 sgbaird opened 2 years ago
2
attention-heads as samples from posterior distribution in a Bayesian sense

#22 sgbaird opened 2 years ago
0
pinned pytorch and cudatoolkit dependencies possibly defunct for GPU usage

#21 sgbaird opened 2 years ago
1
the classification criterion doesn't factor in the uncertainty - does this mean ignore the uncertainty for classification?

#20 sgbaird opened 2 years ago
0
CrabNet matbench results - possibly neglecting 25% of the training data it could have used

#19 sgbaird opened 2 years ago
2
Mention alternative conda/pip installable crabnet

#18 sgbaird closed 2 years ago
1
Seems like an "extend_features" option for CrabNet could be useful for several people

#17 sgbaird opened 2 years ago
12
Passing DataFrames as args, no architecture format (i.e. non-platform specific), black code style, removal of large output data, backwards compatible

#16 sgbaird closed 2 years ago
0
Does CrabNet use the validation data to improve the model?

#15 sgbaird opened 2 years ago
4
fit() and predict() methods

#14 sgbaird opened 2 years ago
0
CrabNet sometimes ignores/skips certain compounds. Why? How to keep track of compound IDs?

#13 sgbaird opened 2 years ago
4
Is Python 3.8+ a known requirement, or are earlier versions just untested?

#12 sgbaird closed 2 years ago
1
pip or conda install

#11 sgbaird opened 3 years ago
6
Multiclass classification

#10 hasan-sayeed closed 3 years ago
5
Do any of the CSV files in data/element_properties/ need citations? (e.g. in a README in the element_properties folder)

#9 sgbaird closed 3 years ago
2
Fix path (slash)

#8 MahamadSalah74 closed 3 years ago
0
Update README.md

#7 anthony-wang closed 3 years ago
0
about the predictor

#6 yangyizu closed 3 years ago
7
Small visual improvements in plotting

#5 anthony-wang closed 3 years ago
0
Updates addressing some issues

#4 anthony-wang closed 3 years ago
0
What is KingCrab?

#3 sgbaird closed 3 years ago
3
Revamped CrabNet

#2 anthony-wang closed 3 years ago
0
saved models are not displayed well.

#1 Kaaiian closed 4 years ago
1