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Conformal Prediction Wrappers #184
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1d5a285
add conforaml prediction from crepes along with tests and notebook
soulios-basf 6de0e48
ruffed it
soulios-basf aedc290
mypy docstyle etc
soulios-basf 4588f28
Merge branch 'main' into conformal_pred
JochenSiegWork 6947efe
pull first
soulios-basf 6a1f1f0
ruffed and ready
soulios-basf c9cab14
tests ruffed
soulios-basf 319d282
tests ruffed and formatted
soulios-basf 7394ba6
tests rereformatted
soulios-basf abb1067
fix test
soulios-basf ebc6d49
reformatted after fix
soulios-basf a71fa5b
reformatted after fix
soulios-basf 9629327
addressed pr comments, types, docus, mondrian, fit and calib flags, t…
soulios-basf f1cf6e5
addressed comments and made mondrian and split modular and wrote ext…
soulios-basf bc239eb
linted and formatted
soulios-basf 832e1d6
moved 2 functions to utils
soulios-basf d2ac8fb
recommit moved 2 functions to utils
soulios-basf 836ba4f
linters, formatters,docsig
soulios-basf bd37fcf
removed conformal test from pipeline
soulios-basf a1b336d
added ignore for too many variables in the test_conformal
soulios-basf e8c7c26
flaked and ruffed
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@@ -5,3 +5,7 @@ lib/ | |
| build/ | ||
| lightning_logs/ | ||
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| .mypy_cache/ | ||
| __pycache__/ | ||
| *.pyc | ||
| *instructions.md | ||
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| Original file line number | Diff line number | Diff line change |
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| """Wrappers for conformal prediction in MolPipeline. | ||
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| Provides ConformalPredictor and CrossConformalPredictor for robust uncertainty quantification. | ||
| """ | ||
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| from molpipeline.experimental.uncertainty.conformal import ( | ||
| ConformalPredictor, | ||
| CrossConformalPredictor, | ||
| ) | ||
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| __all__ = ["ConformalPredictor", "CrossConformalPredictor"] |
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If you want to add these globally to the .gitignore, you shouldn't do this in this PR but create a separate one.