 Quan (Andy) Gan
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1c4bfb62bb
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[Performance] Replace np.array with np.asarray (#1301)
* replace np.array with np.asarray
* fix
Co-authored-by: Minjie Wang <minjie.wang@nyu.edu>
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2020-03-03 20:45:41 +08:00 |
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Mufei Li
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828a5e5bc6
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[DGL-LifeSci] Migration and Refactor (#1226)
* First commit
* Update
* Update splitters
* Update
* Update
* Update
* Update
* Update
* Update
* Migrate ACNN
* Fix
* Fix
* Update
* Update
* Update
* Update
* Update
* Update
* Finish classification
* Update
* Fix
* Update
* Update
* Update
* Fix
* Fix
* Fix
* Update
* Update
* Update
* trigger CI
* Fix CI
* Update
* Update
* Update
* Add default values
* Rename
* Update deprecation message
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2020-02-04 01:38:09 +08:00 |
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Mufei Li
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cf9ba90fd4
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[Chem] ACNN and various utilities (#1117)
* Add several splitting methods
* Update
* Update
* Update
* Update
* Update
* Fix
* Update
* Update
* Update
* Update
* Fix
* Fix
* Fix
* Fix
* Fix
* Update
* Update
* Update
* Update
* Update
* Update
* Update
* Finally
* CI
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2019-12-19 11:54:40 +08:00 |
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Mufei Li
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52c7ef49fc
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[Model Zoo] AttentiveFP (#955)
* Update
* Fix style
* Update
* Update
* Fix
* Update
* Update
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2019-10-26 01:57:34 +08:00 |
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Mufei Li
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4eba1ce2a4
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[Chemistry] Hot fix (#953)
* Hot fix
* CI
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2019-10-25 15:05:21 +08:00 |
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Mufei Li
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577cf2e63b
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[Model Zoo] Refactor and Add Utils for Chemistry (#928)
* Refactor
* Add note
* Update
* CI
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2019-10-22 00:47:45 +08:00 |
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Mufei Li
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ae3102d3a2
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[Dataset] Migration for Chemistry Datasets (#926)
* Update
* Update
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2019-10-21 16:38:28 +08:00 |
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Mufei Li
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189c2c0907
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[Model Zoo] Refactor Model Zoo for Chemistry (#839)
* Update
* Update
* Update
* Update fix
* Update
* Update
* Refactor
* Update
* Update
* Update
* Update
* Update
* Update
* Fix style
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2019-09-07 20:01:09 +08:00 |
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Mufei Li
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e590feeb62
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[Model Zoo] GAT on Tox21 (#793)
* GAT
* Fix mistake
* Fix
* hotfix
* Fix
* Fix
* Fix
* Fix
* Fix
* Fix
* Fix
* Update
* Update
* Update
* Fix style
* Hotfix
* Hotfix
* Hotfix
* Fix
* Fix
* Update
* CI trial
* Update
* Update
* Update
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2019-08-28 04:47:16 +08:00 |
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Mufei Li
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331337fe5f
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[Model Zoo] Clean up for Alchemy dataset (#800)
* Make dataset framework agnostic
* Update
* Update
* Fix
* Remove unused import
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2019-08-28 00:08:59 +08:00 |
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lunar
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3bc73931f8
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[Model Zoo] Molecule Regression (#779)
* [Model] MPNN
* [Model] MPNN 🔨 reorganize the mpnn/sch/mgcn model & alchemy dataset
* [Model] MPNN alchemy dataloader refactoring
* [Model] Chem model zoo minor change
* [Model] Chem Model Zoo 🔥 remove old samples
* [Model Zoo] molecule regression minor change
* Fix dataset import
* Fix dataset import
* [Model Zoo] molecule regression test set
* [Model Zoo] molecule prediction MPNN model hyperparameter tuning
* [Model Zoo] molecule prediction ✏️ mpnn performance update
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2019-08-26 17:42:33 +08:00 |
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Mufei Li
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cd9fb7baa0
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[Model Zoo] Refactor GCN on Tox21 (#766)
* [Model zoo] Model zoo (#765)
* tox21
* fix ci
* fix ci
* fix urls to url
* add doc
* remove binary
* model zoo
* test
* markdown
* fix typo
* fix typo
* fix typo
* raise error
* fix lint
* remove unnecessary
* fix doc
* fix
* fix
* fix
* fix
* fix
* fix
* Update
* CI
* Fix
* Fix
* Fix
* Fix
* Fix
* CI
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2019-08-16 02:49:25 +08:00 |
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VoVAllen
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2ee3c78c7c
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[Dataset] Tox21 (#760)
* tox21
* fix ci
* fix ci
* fix urls to url
* add doc
* remove binary
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2019-08-14 16:55:01 +08:00 |
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