 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 |
|