Commits · 94c67203dcd4789b758fa78322af636797da2dd0 · OpenDAS / dgl

02 Apr, 2020 1 commit
- [DGL-LifeSci] Documentation (#1414) · d3560b71
  Mufei Li authored Apr 02, 2020
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  d3560b71
16 Mar, 2020 1 commit
- Update (#1366) · 2ce0e21b
  Mufei Li authored Mar 16, 2020
  
  2ce0e21b
14 Mar, 2020 1 commit

[DGL-LifeSci] WLN for Reaction Center Prediction (#1360) · 545cc065

Mufei Li authored Mar 14, 2020

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545cc065

03 Feb, 2020 1 commit

[DGL-LifeSci] Migration and Refactor (#1226) · 828a5e5b

Mufei Li authored Feb 04, 2020

* First commit

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* Update splitters

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* Migrate ACNN

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* Finish classification

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* trigger CI

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* Add default values

* Rename

* Update deprecation message

828a5e5b

19 Dec, 2019 1 commit

[Chem] ACNN and various utilities (#1117) · cf9ba90f

Mufei Li authored Dec 19, 2019

* Add several splitting methods

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cf9ba90f

21 Oct, 2019 2 commits
- [Model Zoo] Refactor and Add Utils for Chemistry (#928) · 577cf2e6
  Mufei Li authored Oct 22, 2019
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* Refactor

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  577cf2e6
- [Dataset] Migration for Chemistry Datasets (#926) · ae3102d3
  Mufei Li authored Oct 21, 2019
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  ae3102d3
07 Sep, 2019 1 commit

[Model Zoo] Refactor Model Zoo for Chemistry (#839) · 189c2c09

Mufei Li authored Sep 07, 2019

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* Fix style

189c2c09

27 Aug, 2019 2 commits

[Model Zoo] GAT on Tox21 (#793) · e590feeb

Mufei Li authored Aug 28, 2019

* GAT

* Fix mistake

* Fix

* hotfix

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* Fix style

* Hotfix

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* CI trial

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e590feeb

[Model Zoo] Clean up for Alchemy dataset (#800) · 331337fe
Mufei Li authored Aug 28, 2019
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* Make dataset framework agnostic

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* Remove unused import
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331337fe

26 Aug, 2019 1 commit

[Model Zoo] Molecule Regression (#779) · 3bc73931

lunar authored Aug 26, 2019

* [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

3bc73931

07 Aug, 2019 1 commit

[Model] Schnet & MGCN (#726) · e1f08644

lunar authored Aug 07, 2019

* [Model] SchNet

* [Model] SchNet model

* [Model] Schnet Model fix device-related bug

* [Model] SchNet fix bugs

* [Model] SchNet fix some bugs

* [Model] Schnet 🎨 code indent format

* [Model] SchNet ✏ fix some typos

e1f08644