Sklearn Workflow Integration#5

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jxl26 wants to merge 16 commits intochemprop:mainfrom

Commits on Dec 2, 2025

add sklearn integration support to contrib
Jiaxu
committed
add pytest cov
KnathanM
committed

Commits on Dec 14, 2025

Adopted

jxl26
and
KnathanM
authored

Commits on Dec 15, 2025

address comments
Jiaxu
committed
add license file
Jiaxu
committed

Commits on Dec 19, 2025

don't shuffle test set
KnathanM
committed

Commits on Dec 20, 2025

changes
KnathanM
committed

Commits on Dec 26, 2025

Fix unsafe parameter assignment in ensemble regressor
Jiaxu
committed

Commits on Jan 10, 2026

remove unneeded dependencies
Jiaxu
committed
fix dependency order
Jiaxu
committed

Commits on Mar 8, 2026

adjust input type of message_hidden_dim in accordance with chemprop 2.2.2
Jiaxu
committed
also adjust depth argument to take list
Jiaxu
committed
also fix example notebook
Jiaxu
committed

Commits on Mar 26, 2026