Owner

anthony-wang

4 indexed repositories · View on GitHub

BestPractices
Things that you should (and should not) do in your Materials Informatics research.

Jupyter Notebook · 205 stars
CrabNet
Predict materials properties using only the composition information!

Python · 132 stars
mensa-carta
The Mensa project. Data science from a cafeteria's menu!

Julia · 2 stars
gsoc_blog
Anthony Wang's GSoC 2018 blog

Ruby · 1 star

Open All

24 open issues indexed

Protect API key Open

anthony-wang/mensa-carta#1 · 0 comments · 1 reaction · 0 assignees · Indexed Sep 13, 2026
Recursively download resources from RESTful web service Open

anthony-wang/mensa-carta#2 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
Fix categories tags in blog posts Open

gripe

anthony-wang/gsoc_blog#2 · 0 comments · 0 reactions · 1 assignee · Indexed Sep 13, 2026
pip or conda install Open

enhancement help wanted

anthony-wang/CrabNet#11 · 6 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
CrabNet sometimes ignores/skips certain compounds. Why? How to keep track of compound IDs? Open

question

anthony-wang/CrabNet#13 · 4 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
fit() and predict() methods Open

anthony-wang/CrabNet#14 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
Does CrabNet use the validation data to improve the model? Open

anthony-wang/CrabNet#15 · 4 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
Seems like an "extend_features" option for CrabNet could be useful for several people Open

anthony-wang/CrabNet#17 · 14 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
CrabNet matbench results - possibly neglecting 25% of the training data it could have used Open

anthony-wang/CrabNet#19 · 2 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
the classification criterion doesn't factor in the uncertainty - does this mean ignore the uncertainty for classification? Open

anthony-wang/CrabNet#20 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
pinned pytorch and cudatoolkit dependencies possibly defunct for GPU usage Open

anthony-wang/CrabNet#21 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 13, 2026
attention-heads as samples from posterior distribution in a Bayesian sense Open

anthony-wang/CrabNet#22 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
CrabNet matbench data, possible mismatch between submission notebook and results Open

anthony-wang/CrabNet#23 · 2 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
Reproducing RooSt results, error using RooSt Colab example is higher than what's reported in CrabNet paper Open

anthony-wang/CrabNet#26 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
Parameter used for the results in the published work Open

anthony-wang/CrabNet#28 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
Add skipatom featurizer to the repository Open

anthony-wang/CrabNet#29 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
Facing issue while importing model (from crabnet.model import Model) Open

anthony-wang/CrabNet#32 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 13, 2026
AttributeError: 'SWA' object has no attribute '_optimizer_step_pre_hooks'. Did you mean: '_optimizer_step_code'? Open

anthony-wang/CrabNet#36 · 1 comment · 5 reactions · 0 assignees · Indexed Sep 13, 2026
Reason to use pe_scaler and ple_scaler Open

anthony-wang/CrabNet#37 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
include hyperparameter tuning Open

enhancement good first issue

anthony-wang/BestPractices#9 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 13, 2026
Drop duplicate rows in `1-data_loading_cleanup_processing.ipynb` Open

anthony-wang/BestPractices#10 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
pandas-profile import incompatibility with pandas Open

anthony-wang/BestPractices#11 · 4 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
Case sensitivity of CBFV on Linux/WSL Open

anthony-wang/BestPractices#13 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026
pandas profiling has been changed to ydata-profiling Open

anthony-wang/BestPractices#14 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 13, 2026

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