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Skipspecies #7

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merged 43 commits into from
Jul 12, 2024
Merged

Skipspecies #7

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1b59fea
Readme updates
AntObi Sep 15, 2023
54358a4
Move files in the data folder
AntObi Sep 15, 2023
37e2f6f
Add CSVLogger to trainer
AntObi Sep 21, 2023
5b10a6d
Fix get_cooccurrence_pairs to be general
AntObi Sep 21, 2023
986b055
Add util functions to __init__.py
AntObi Oct 18, 2023
7351a8a
Remove oxi functions
AntObi Oct 18, 2023
0961771
Add script for making species dataset
AntObi Oct 18, 2023
b0f7258
Add functions for getting vectors from csv files
AntObi Oct 18, 2023
9edb9f9
[WIP] Add script for running skipspecies benchmark
AntObi Oct 18, 2023
2b2645a
Add model files
AntObi Oct 18, 2023
7a45b50
Add updated ElemNet models
AntObi Oct 19, 2023
a1f76e0
Update train_mlp.py
AntObi Oct 19, 2023
a1f35f1
Add updated ElemNet models to __init__.py
AntObi Oct 19, 2023
ea3764c
Add species property dataset
AntObi Oct 19, 2023
b936ca6
Add csv files for skipspecies
AntObi Oct 19, 2023
7b178f8
Move csv files
AntObi Oct 19, 2023
a62b31d
Add induced csv files
AntObi Oct 19, 2023
abfc286
update .gitignore
AntObi Oct 20, 2023
ed6eead
Fix experiment naming
AntObi Oct 20, 2023
c347919
Add skipatom induced csv files
AntObi Oct 24, 2023
b54d7b2
Fix pool functions
AntObi Oct 23, 2023
ab8b721
Update .gitignore
AntObi Oct 23, 2023
701b03b
Add skipatom induced dim100
AntObi Oct 25, 2023
bc82d27
Add out_final to .gitignore
AntObi Jul 4, 2024
92630be
Update README.md
AntObi Jul 4, 2024
f784936
Property dataset files
AntObi Jul 4, 2024
13bf5f1
Run pre-commit
AntObi Jul 4, 2024
242fcf4
Remove archived skipatom files
AntObi Jul 5, 2024
a5fc77b
Remove old model file
AntObi Jul 5, 2024
7b261a5
Add plots
AntObi Jul 5, 2024
9ff7729
Add analysis notebooks and supporting data
AntObi Jul 5, 2024
0f24555
Add svg of validation curve
AntObi Jul 5, 2024
152f036
Update project README.md
AntObi Jul 5, 2024
4f940c7
Update gitignore
AntObi Jul 9, 2024
1caf90b
Update .gitignore
AntObi Jul 9, 2024
718c777
Remove old skipatom files
AntObi Jul 9, 2024
22f4476
Add property dataset
AntObi Jul 9, 2024
59bc924
Add output files
AntObi Jul 9, 2024
1abb70d
Remove outdated envrionment file
AntObi Jul 12, 2024
559147c
Add MP download script
AntObi Jul 12, 2024
cfc1f32
Fix requirements
AntObi Jul 12, 2024
63cbe7d
Update README.md
AntObi Jul 12, 2024
70cc940
Remove old files
AntObi Jul 12, 2024
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18 changes: 18 additions & 0 deletions .gitignore
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Expand Up @@ -8,6 +8,15 @@ __pycache__/

/out/

out_final/species_prop/skipatom/induced/datasets/
out_final/species_prop/skipatom/induced/models/
out_final/species_prop/skipspecies/induced/datasets/
out_final/species_prop/skipspecies/induced/models/
out_final/species_prop/skipspecies/non_induced/datasets/
out_final/species_prop/skipspecies/non_induced/models/

*/models/*
*/datasets/*
.idea/

# Distribution / packaging
Expand Down Expand Up @@ -144,3 +153,12 @@ dmypy.json
/paper/**/*.out
/paper/**/*.bbl
/paper/**/*.blg

# SLURM
pbs_outputs/*
*.sh
*.sh.e*
*.sh.o*

test/*
analysis/*
334 changes: 111 additions & 223 deletions README.md
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242 changes: 0 additions & 242 deletions bin/create_elpasolite_dataset.py
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