文件历史

15 次代码提交

作者 SHA1 备注 提交日期
Zihao Ye 09ade2f265 upd (#1321) 2020-03-06 14:17:48 +08:00
Zihao Ye 93ac29ce34 [Refactor] Unify DGLGraph, BatchedDGLGraph and DGLSubGraph (#1216)
* upd

* upd

* upd

* lint

* fix

* fix test

* fix

* fix

* upd

* upd

* upd

* upd

* upd

* upd

* upd

* upd

* upd

* upd

* upd tutorial

* upd

* upd

* fix kg

* upd doc organization

* refresh test

* upd

* refactor doc

* fix lint

Co-authored-by: Minjie Wang <minjie.wang@nyu.edu>
2020-03-05 18:03:57 +08:00
Mufei Li 828a5e5bc6 [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
2020-02-04 01:38:09 +08:00
Mufei Li cf9ba90fd4 [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
2019-12-19 11:54:40 +08:00
Mufei Li 52c7ef49fc [Model Zoo] AttentiveFP (#955)
* Update

* Fix style

* Update

* Update

* Fix

* Update

* Update
2019-10-26 01:57:34 +08:00
Mufei Li 9df8cd3242 [Model Zoo] Fix JTNN (#843)
* Update

* Update

* Update

* Update

* Update
2019-09-10 16:14:37 +08:00
Mufei Li 189c2c0907 [Model Zoo] Refactor Model Zoo for Chemistry (#839)
* Update

* Update

* Update

* Update fix

* Update

* Update

* Refactor

* Update

* Update

* Update

* Update

* Update

* Update

* Fix style
2019-09-07 20:01:09 +08:00
Mufei Li e590feeb62 [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
2019-08-28 04:47:16 +08:00
VoVAllen 3192beb42d [Model zoo] JTNN model zoo (#790)
* 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
2019-08-28 04:04:54 +08:00
Mufei Li 331337fe5f [Model Zoo] Clean up for Alchemy dataset (#800)
* Make dataset framework agnostic

* Update

* Update

* Fix

* Remove unused import
2019-08-28 00:08:59 +08:00
Zihao Ye 9314aabd1f [Refactor] Interface of nn modules (#798)
* refactor

* upd mpnn
2019-08-27 22:29:25 +08:00
Mufei Li 8079d98617 Misc update (#796) 2019-08-27 16:08:36 +08:00
lunar 3bc73931f8 [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
2019-08-26 17:42:33 +08:00
Mufei Li 73b2668fe2 [Model Zoo] DGMG for molecule generation (#783)
* 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
2019-08-26 03:39:20 +08:00
Mufei Li cd9fb7baa0 [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
2019-08-16 02:49:25 +08:00