Molenet dataset - #48

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aditya0by0 wants to merge 31 commits into

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feature/molenet_dataset

Commits on Aug 8, 2026

chebi aug variant with all props except node level
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9abbe9f

Commits on Aug 10, 2026

allow adding new tokens through augmented class for atom specific props
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05462da
BACE dataset tokens
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d26b9b9

Commits on Aug 11, 2026

check len of base_df after merge, to avoid memory blow due to duplicated entries leading to cross merge
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1ce48ef

Commits on Aug 12, 2026

BBBP tokens
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f590aeb
hiv tokens
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f4cb1ac
clintox tokens
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d2b439d
sider tokens
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3a8b8ed
HIV tokens
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13234d1

Commits on Aug 13, 2026

Commits on Aug 14, 2026

Commits on Aug 18, 2026

add baseline to aug-ablation script too
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1a3e3c5

Commits on Aug 19, 2026

aug props for gnwa_wfga_wfge
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a5a2c2e

Commits on Aug 20, 2026

Commits on Aug 24, 2026

aug ablation study for tox21, toxcast
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ec958e1
add tox ablation classes to configs
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0611c49

Commits on Sep 5, 2026

add aug ablation scripts
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a43cfc8

Commits on Sep 6, 2026

rectify script
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e1e1d77
update chebi aug ablation script
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705000e

Commits on Sep 9, 2026

final aug chang to gnwa_fgwa_wfge
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730bd70

Commits on Sep 10, 2026