文件历史

17 次代码提交

作者 SHA1 备注 提交日期
Mufei Li 36c7b77167 [LifeSci] Move to Independent Repo (#1592)
* Move LifeSci

* Remove doc
2020-06-05 21:28:24 +08:00
Mufei Li b8dffcd57f [DGL-LifeSci] Handle Same Labels for ROC AUC (#1581)
* Handle corner case for ROC AUC

* Update

* Update doct
2020-06-03 01:21:08 +08:00
Mufei Li 38b9c0f82f [DGL-LifeSci] Allow Generating Vocabulary from a New Dataset (#1577)
* Generate vocabulary from a new dataset

* CI"
2020-06-02 14:21:48 +08:00
Mufei Li 165c67ccda [DGL-LifeSci] Pre-trained GIN (#1558)
* Update

* Fix

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2020-05-25 00:02:12 +08:00
Mufei Li 039fefc2fb [DGL-LifeSci] WLN for Reaction Prediction (#1530)
* Update

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* Finalize
2020-05-16 10:16:02 +08:00
Mufei Li ad222fb939 Update (#1447) 2020-04-16 03:17:57 +08:00
jjhu94 011656fd96 [DGL-LifeSci] Weave for Molecular Property Prediction (#1441)
* featurize for weave model

* weave module for molecular graphs

* Update

* completed weave model

* update the whole weave model

* Update

* update atom (node) features

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* "featurizer"

* Add files via upload

add edge featurizer

* Add files via upload

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Co-authored-by: mufeili <mufeili1996@gmail.com>
2020-04-15 03:09:31 +08:00
Mufei Li d3560b7155 [DGL-LifeSci] Documentation (#1414)
* Update

* Update

* Update
2020-04-02 21:19:07 +08:00
Mufei Li 0ee9f56e72 [DGL-LifeSci] Final release preparation for 0.2.1 2020-04-02 15:02:50 +08:00
Mufei Li b76ac11c90 [DGL-LifeSci] Release Preparation (CI, Docker, Conda build) (#1399)
* Update

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* add docs

* Fix style

* Fix lint

* Bug fix

* Fix test

* Update

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Co-authored-by: Minjie Wang <wmjlyjemaine@gmail.com>
2020-04-01 15:45:03 +08:00
Mufei Li 2ce0e21b6b Update (#1366) 2020-03-16 22:00:19 +08:00
Mufei Li 545cc065c0 [DGL-LifeSci] WLN for Reaction Center Prediction (#1360)
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2020-03-14 13:13:38 +08:00
Mufei Li f3b866f4eb Update (#1359) 2020-03-13 17:38:57 +08:00
Zihao Ye 93ac29ce34 [Refactor] Unify DGLGraph, BatchedDGLGraph and DGLSubGraph (#1216)
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* fix kg

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Co-authored-by: Minjie Wang <minjie.wang@nyu.edu>
2020-03-05 18:03:57 +08:00
Mufei Li 97e792654f Update setup.py (#1270) 2020-02-18 17:35:45 +08:00
Mufei Li 3f0c10058a [DGL-LifeSci] Fix broken links (#1248)
* Fix

* Update
2020-02-08 18:42:51 +08:00
Mufei Li 828a5e5bc6 [DGL-LifeSci] Migration and Refactor (#1226)
* First commit

* Update

* Update splitters

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* Migrate ACNN

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* trigger CI

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* Add default values

* Rename

* Update deprecation message
2020-02-04 01:38:09 +08:00