 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
|
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 |
|
|
Zihao Ye
|
9314aabd1f
|
[Refactor] Interface of nn modules (#798)
* refactor
* upd mpnn
|
2019-08-27 22:29:25 +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 |
|