JuliaML / MLDatasets.jl

Utility package for accessing common Machine Learning datasets in Julia
https://juliaml.github.io/MLDatasets.jl/stable
MIT License
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Adding AQSOL Dataset #240

Closed rbSparky closed 1 month ago

rbSparky commented 1 month ago

(Related to issue #239) Reference: pytorch geometric

The AQSOL dataset from the Benchmarking Graph Neural Networks paper based on AqSolDB, a standardized database of 9,982 molecular graphs with their aqueous solubility values, collected from 9 different data sources.

Will add tests.

rbSparky commented 1 month ago

Tests to be added(and docstring)

rbSparky commented 1 month ago

Works locally with path hardcoded, while downloading it gets stuck on "do you want to download [y/n]" any suggestions?

EDIT: figured it out ENV["DATADEPS_ALWAYS_ACCEPT"] = "true"

rbSparky commented 1 month ago

Works locally, will check here now

rbSparky commented 1 month ago

For some reason can't see the tests here(the ones that failed aren't loading). @CarloLucibello do you see any obvious issues that I need to fix here?

EDIT: Fixed

rbSparky commented 1 month ago

Tests pass, will add more tests and docs

codecov-commenter commented 1 month ago

Codecov Report

Attention: Patch coverage is 96.15385% with 1 line in your changes missing coverage. Please review.

Project coverage is 44.83%. Comparing base (3d40a68) to head (d7c8214). Report is 4 commits behind head on master.

Files Patch % Lines
src/datasets/graphs/AQSOL.jl 95.83% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #240 +/- ## ========================================== - Coverage 45.94% 44.83% -1.11% ========================================== Files 50 51 +1 Lines 2501 2516 +15 ========================================== - Hits 1149 1128 -21 - Misses 1352 1388 +36 ```

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CarloLucibello commented 1 month ago

AQSOL should be added to the documentation in docs/src/datasets/graphs.md

rbSparky commented 1 month ago

All changes have been made