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kjappelbaum
/
oximachinerunner
An easy API for using oximachine.
MIT License
7
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5
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chore(deps): update xgboost requirement from ~=1.4.2 to ~=2.0.2
#93
dependabot[bot]
opened
8 months ago
0
chore(deps): update xgboost requirement from ~=1.4.2 to ~=2.0.1
#92
dependabot[bot]
closed
8 months ago
1
chore(deps): update xgboost requirement from ~=1.4.2 to ~=2.0.0
#91
dependabot[bot]
closed
8 months ago
1
chore(deps): update xgboost requirement from ~=1.4.2 to ~=1.7.6
#90
dependabot[bot]
closed
10 months ago
1
Model migration
#89
kjappelbaum
opened
10 months ago
1
migrate to ruff
#88
kjappelbaum
opened
10 months ago
0
Update packaging
#87
mpougin
opened
10 months ago
3
chore: release 1.4.1
#86
github-actions[bot]
closed
10 months ago
0
instantiation error
#85
faight4869
opened
1 year ago
1
chore(deps): update xgboost requirement from ~=1.4.2 to ~=1.7.4
#84
dependabot[bot]
closed
10 months ago
1
chore(deps): update pymatgen requirement from <2021 to <2024
#83
dependabot[bot]
closed
10 months ago
1
chore(deps): update xgboost requirement from ~=1.4.2 to ~=1.7.3
#82
dependabot[bot]
closed
1 year ago
1
chore(deps): update xgboost requirement from ~=1.4.2 to ~=1.7.2
#81
dependabot[bot]
closed
1 year ago
1
chore(deps): update xgboost requirement from ~=1.4.2 to ~=1.7.1
#80
dependabot[bot]
closed
1 year ago
1
chore(deps): update xgboost requirement from ~=1.4.2 to ~=1.7.0
#79
dependabot[bot]
closed
1 year ago
1
chore(deps): update xgboost requirement from ~=1.4.2 to ~=1.6.2
#78
dependabot[bot]
closed
1 year ago
1
chore(deps): update xgboost requirement from ~=1.4.2 to ~=1.6.1
#77
dependabot[bot]
closed
1 year ago
1
chore(deps): update xgboost requirement from ~=1.4.2 to ~=1.6.0
#76
dependabot[bot]
closed
2 years ago
1
update with retrained model that fixes issues for some rare oxidation states
#75
kjappelbaum
opened
2 years ago
0
also accept `IStructure`
#74
kjappelbaum
opened
2 years ago
0
use pystow
#73
kjappelbaum
opened
2 years ago
0
chore(deps): update xgboost requirement from ~=1.4.2 to ~=1.5.2
#72
dependabot[bot]
closed
2 years ago
1
chore(deps): update xgboost requirement from ~=1.4.2 to ~=1.5.1
#71
dependabot[bot]
closed
2 years ago
1
shap importance sometimes misleading
#70
kjappelbaum
opened
2 years ago
0
weight the different predictions in the ensemble
#69
kjappelbaum
opened
2 years ago
0
chore(deps): update xgboost requirement from ~=1.4.2 to ~=1.5.0
#68
dependabot[bot]
closed
2 years ago
1
make it Python 3.9 compatible
#67
kjappelbaum
opened
2 years ago
6
chore(deps): update pymatgen requirement from <2021 to <2023
#66
dependabot[bot]
closed
2 years ago
1
chore: release 1.4.1
#65
github-actions[bot]
closed
2 years ago
0
Pymatgen version conflict
#64
Andrew-S-Rosen
closed
3 years ago
0
chore(deps): update xgboost requirement from ~=1.3.3 to ~=1.4.2
#63
dependabot[bot]
closed
2 years ago
0
chore(deps): update xgboost requirement from ~=1.3.3 to ~=1.4.1
#62
dependabot[bot]
closed
3 years ago
1
chore(deps): update xgboost requirement from ~=1.3.3 to ~=1.4.0
#61
dependabot[bot]
closed
3 years ago
1
chore: release 1.4.0
#60
github-actions[bot]
closed
3 years ago
0
feat: custom exceptions
#59
kjappelbaum
closed
3 years ago
3
chore: release 1.3.1
#58
github-actions[bot]
closed
3 years ago
0
cleaner exceptions when input structure is not suitable?
#57
ltalirz
closed
3 years ago
14
chore(deps): update xgboost requirement from ~=1.3.0 to ~=1.3.3
#56
dependabot[bot]
closed
3 years ago
0
chore(deps): update xgboost requirement from ~=1.3.0 to ~=1.3.2
#55
dependabot[bot]
closed
3 years ago
1
feat: add NN model with dropout Monte-Carlo
#54
kjappelbaum
opened
3 years ago
0
chore(deps): update xgboost requirement from ~=1.3.0 to ~=1.3.1
#53
dependabot[bot]
closed
3 years ago
1
chore: added some tests for Daniele's structures, #50
#52
kjappelbaum
closed
3 years ago
0
chore: release 1.3.0
#51
github-actions[bot]
closed
3 years ago
0
add tests via xyz export of StructureData
#50
kjappelbaum
closed
3 years ago
0
feat: moved models to zenodo
#49
kjappelbaum
closed
3 years ago
0
check sensitivity to cell standardization
#48
kjappelbaum
closed
3 years ago
1
chore: cleanup model loading implementation and docstrings
#47
kjappelbaum
closed
3 years ago
1
chore: release 1.2.0
#46
github-actions[bot]
closed
3 years ago
0
cache also predictions
#45
kjappelbaum
opened
3 years ago
1
feat: only loading model when needed
#44
kjappelbaum
closed
3 years ago
0
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