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Adding AQSOL Dataset #240
Adding AQSOL Dataset #240
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Tests to be added(and docstring) |
Works locally with path hardcoded, while downloading it gets stuck on "do you want to download [y/n]" any suggestions? EDIT: figured it out |
Works locally, will check here now |
For some reason can't see the tests here(the ones that failed aren't loading). EDIT: Fixed |
Tests pass, will add more tests and docs |
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ 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 ☔ View full report in Codecov by Sentry. |
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All changes have been made |
(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.