Commits · 94c67203dcd4789b758fa78322af636797da2dd0 · OpenDAS / dgl

24 May, 2020 1 commit

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

Mufei Li authored May 25, 2020

* Update

* Fix

* Update

* Update

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* Update

165c67cc

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

* Update

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* 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

* Update

* 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

* 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

* 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

828a5e5b

19 Dec, 2019 1 commit

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

Mufei Li authored Dec 19, 2019

* Add several splitting methods

* Update

* Update

* Update

* Update

* Update

* Fix

* Update

* Update

* Update

* Update

* Fix

* Fix

* Fix

* Fix

* Fix

* Update

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* Update

* Finally

* CI

cf9ba90f

25 Oct, 2019 1 commit
- [Chemistry] Hot fix (#953) · 4eba1ce2
  Mufei Li authored Oct 25, 2019
```
* Hot fix

* CI
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  4eba1ce2
21 Oct, 2019 1 commit
- [Model Zoo] Refactor and Add Utils for Chemistry (#928) · 577cf2e6
  Mufei Li authored Oct 22, 2019
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* Refactor

* Add note

* Update

* CI
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  577cf2e6
07 Sep, 2019 1 commit

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

Mufei Li authored Sep 07, 2019

* Update

* Update

* Update

* Update fix

* Update

* Update

* Refactor

* Update

* Update

* Update

* Update

* Update

* Update

* Fix style

189c2c09

27 Aug, 2019 1 commit
- [Model Zoo] Clean up for Alchemy dataset (#800) · 331337fe
  Mufei Li authored Aug 28, 2019
```
* Make dataset framework agnostic

* Update

* Update

* Fix

* Remove unused import
```
  331337fe
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

14 Aug, 2019 1 commit

[Dataset] Tox21 (#760) · 2ee3c78c

VoVAllen authored Aug 14, 2019

* tox21

* fix ci

* fix ci

* fix urls to url

* add doc

* remove binary

2ee3c78c