Commits · 94c67203dcd4789b758fa78322af636797da2dd0 · OpenDAS / dgl

24 May, 2020 1 commit

[DGL-LifeSci] Pre-trained GIN (#1558) · 165c67cc

Mufei Li authored May 25, 2020

* Update

* Fix

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165c67cc

16 May, 2020 1 commit

[DGL-LifeSci] WLN for Reaction Prediction (#1530) · 039fefc2

Mufei Li authored May 16, 2020

* Update

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* Fix bug

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* Finalize

039fefc2

15 Apr, 2020 1 commit
- Update (#1447) · ad222fb9
  Mufei Li authored Apr 16, 2020
  
  ad222fb9
14 Apr, 2020 1 commit

[DGL-LifeSci] Weave for Molecular Property Prediction (#1441) · 011656fd

jjhu94 authored Apr 15, 2020



* featurize for weave model

* weave module for molecular graphs

* Update

* completed weave model

* update the whole weave model

* Update

* update atom (node) features

'

* "featurizer"

* Add files via upload

add edge featurizer

* Add files via upload

* Update

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Co-authored-by: mufeili <mufeili1996@gmail.com>

011656fd

02 Apr, 2020 1 commit
- [DGL-LifeSci] Documentation (#1414) · d3560b71
  Mufei Li authored Apr 02, 2020
```
* Update

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  d3560b71
01 Apr, 2020 1 commit

[DGL-LifeSci] Release Preparation (CI, Docker, Conda build) (#1399) · b76ac11c

Mufei Li authored Apr 01, 2020



* Update

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* add docs

* Fix style

* Fix lint

* Bug fix

* Fix test

* Update

* Update

* Update

* Update
Co-authored-by: Minjie Wang <wmjlyjemaine@gmail.com>

b76ac11c

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

* Update

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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

* Update

* Update splitters

* Update

* Update

* Update

* Update

* Update

* Update

* Migrate ACNN

* Fix

* Fix

* Update

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* Finish classification

* Update

* Fix

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* Fix

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* trigger CI

* Fix CI

* Update

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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

* Update

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* Fix

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* Finally

* CI

cf9ba90f

25 Oct, 2019 1 commit
- [Model Zoo] AttentiveFP (#955) · 52c7ef49
  Mufei Li authored Oct 26, 2019
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* Update

* Fix style

* Update

* Update

* Fix

* Update

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  52c7ef49
10 Sep, 2019 1 commit
- [Model Zoo] Fix JTNN (#843) · 9df8cd32
  Mufei Li authored Sep 10, 2019
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* Update

* Update

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  9df8cd32
07 Sep, 2019 1 commit

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

Mufei Li authored Sep 07, 2019

* Update

* Update

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* Update fix

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* Refactor

* Update

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* Fix style

189c2c09

27 Aug, 2019 3 commits

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

Mufei Li authored Aug 28, 2019

* GAT

* Fix mistake

* Fix

* hotfix

* Fix

* Fix

* Fix

* Fix

* Fix

* Fix

* Fix

* Update

* Update

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* Fix style

* Hotfix

* Hotfix

* Hotfix

* Fix

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* Update

* CI trial

* Update

* Update

* Update

e590feeb

[Model zoo] JTNN model zoo (#790) · 3192beb4

VoVAllen authored Aug 28, 2019

* jtnn model zoo

* poke ci

* fix line sep

* fix

* Fix import order

* fix render

* fix render

* revert

* fix

* Resolve conflict

* dix

* remove create_var

* refactor

* fix

* refactor

* readme

* format

* fix lint

* fix lint

* pylint

* lint

* fix lint

* fix lint

* add hint

* fix

* Remove vocab

* Add explanation for warning

* add directory

* Load model to cpu by default

* Update

3192beb4

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

* Update

* Update

* Fix

* Remove unused import
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331337fe

25 Aug, 2019 1 commit

[Model Zoo] DGMG for molecule generation (#783) · 73b2668f

Mufei Li authored Aug 26, 2019

* DGMG for molecule generation

* Fix CI check

* Fix for CI

* Trial for CI due to shared memory

* Update

* Better interface for dataset configuration

* Update

* Handle corner cases

* Update README

* Fix

* Fix

* Fix

* Fix

* Fix

* Refactor

* Fix

* Fix

* Fix

* Fix

* Fix

* Fix

* Update

* Fix

* Fix

* Fix

* Fix

* Fix

* Finallly

73b2668f

15 Aug, 2019 1 commit

[Model Zoo] Refactor GCN on Tox21 (#766) · cd9fb7ba

Mufei Li authored Aug 16, 2019

* [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

cd9fb7ba