Commits

Branch selector

 master

User selector

All users

Datepicker

All time

Commit History

Commits on Aug 5, 2020

• Support Vocabulary of GuacaMol for JTNN (awslabs#62)

  Show description for e874d2e
  

  yangkzz

  and

  mufeili

  authored
  e874d2e

  Copy full SHA for e874d2e

Commits on Jul 30, 2020

• Update README.md

  mufeili

  authored
  82ae3cf

  Copy full SHA for 82ae3cf

Commits on Jul 28, 2020

• Update for Conda Release (awslabs#60)

  Show description for 2b6b583
  mufeili

  authored
  2b6b583

  Copy full SHA for 2b6b583

• Update (awslabs#59)

  mufeili

  authored
  bba4370

  Copy full SHA for bba4370

Commits on Jul 23, 2020

• [Molecular Property Prediction on CSV Datasets] Add Support for Random Split (awslabs#56)

  Show description for fd73efa
  mufeili

  authored
  fd73efa

  Copy full SHA for fd73efa

Commits on Jul 22, 2020

• Update README.md

  mufeili

  authored
  6ba0c55

  Copy full SHA for 6ba0c55

• Update README.md

  mufeili

  authored
  47c7fdd

  Copy full SHA for 47c7fdd

Commits on Jul 16, 2020

• [Molecular Property Prediction on CSV Dataset] Hot Fix (awslabs#55)

  Show description for 7367db3
  mufeili

  authored
  7367db3

  Copy full SHA for 7367db3

• [Molecular Property Prediction on CSV Dataset] Add Support for Fine-tuning Pre-trained GINs (awslabs#54)

  Show description for 5fb0150
  mufeili

  authored
  5fb0150

  Copy full SHA for 5fb0150

Commits on Jul 15, 2020

• [Molecular Property Prediction on CSV Dataset] Add Support for AttentiveFP (awslabs#53)

  Show description for dec60f4
  mufeili

  authored
  dec60f4

  Copy full SHA for dec60f4

• [Molecular Property Prediction on CSV] Add Support for MPNN (awslabs#52)

  Show description for ad936b0
  mufeili

  authored
  ad936b0

  Copy full SHA for ad936b0

Commits on Jul 13, 2020

• [Molecular Property Prediction on CSV Dataset] Add Support for Weave (awslabs#51)

  Show description for 94322a8
  mufeili

  authored
  94322a8

  Copy full SHA for 94322a8

Commits on Jul 12, 2020

• Hot Fix for Molecular Property Prediction on CSV Datasets (awslabs#50)

  Show description for a9a79b7
  mufeili

  authored
  a9a79b7

  Copy full SHA for a9a79b7

• [Utils] Atom/Bond Featurizers for AttentiveFP (awslabs#49)

  Show description for 94fb0fd
  mufeili

  authored
  94fb0fd

  Copy full SHA for 94fb0fd

Commits on Jul 9, 2020

• Create readthedocs.yml (awslabs#48)

  Show description for 8e7ce53
  VoVAllen

  authored
  8e7ce53

  Copy full SHA for 8e7ce53

Commits on Jul 7, 2020

• [Bug fix] Fix the scripts for property prediction on CSV datasets (awslabs#47)

  Show description for 96895f2
  mufeili

  authored
  96895f2

  Copy full SHA for 96895f2

• [CSV Property Prediction] Allow Taking the Logarithm of Labels in Regression (awslabs#46)

  Show description for 895d942
  mufeili

  authored
  895d942

  Copy full SHA for 895d942

• [Dataset] AstraZeneca Solubility Dataset from ChEMBL (awslabs#45)

  Show description for 928057a
  mufeili

  authored
  928057a

  Copy full SHA for 928057a

• Update Command Line Interface (awslabs#44)

  Show description for e81ad78
  mufeili

  authored
  e81ad78

  Copy full SHA for e81ad78

Commits on Jul 2, 2020

• [Data] Add Datasets for ESOL, FreeSolv, Lipophilicity (awslabs#43)

  Show description for 4c85ad4
  mufeili

  authored
  4c85ad4

  Copy full SHA for 4c85ad4

• Remove the Requirement for RDKit in Importing dgllife (awslabs#42)

  Show description for 6a0f05e
  mufeili

  authored
  6a0f05e

  Copy full SHA for 6a0f05e

Commits on Jul 1, 2020

• Update CONTRIBUTORS.md

  mufeili

  authored
  2f48064

  Copy full SHA for 2f48064

• add notice for the atom map id in the rxn. (awslabs#36)

  Show description for ec36fcb
  

  autodataming

  and

  mufeili

  authored
  ec36fcb

  Copy full SHA for ec36fcb

Commits on Jun 30, 2020

• [Utils] Allow Representing Hydrogen Atoms as Explicit Nodes (awslabs#39)

  Show description for d3aa61e
  mufeili

  authored
  d3aa61e

  Copy full SHA for d3aa61e

• [Reaction Prediction] Handle Invalid Input Reactions (awslabs#38)

  Show description for e837ee7
  mufeili

  authored
  e837ee7

  Copy full SHA for e837ee7

• Original GCN combined with Ogbg-ppa's GCN. (awslabs#26)

  Show description for e834ec6
  

  yangkzz

  and

  mufeili

  authored
  e834ec6

  Copy full SHA for e834ec6

Commits on Jun 28, 2020

• Fix (awslabs#35)

  mufeili

  authored
  be40342

  Copy full SHA for be40342

Commits on Jun 25, 2020

• [Reaction Prediction] Fix for rexgen_direct (awslabs#32)

  Show description for 889be12
  mufeili

  authored
  889be12

  Copy full SHA for 889be12

Commits on Jun 24, 2020

• Link predictor (awslabs#24)

  Show description for 1e08671
  

  YueZhong-bio

  and

  mufeili

  authored
  1e08671

  Copy full SHA for 1e08671

Commits on Jun 23, 2020

• Hotfix (awslabs#30)

  Show description for 8e3721a
  mufeili

  authored
  8e3721a

  Copy full SHA for 8e3721a

Commits on Jun 20, 2020

• [Examples] Hotfix (awslabs#28)

  Show description for 08fc317
  mufeili

  authored
  08fc317

  Copy full SHA for 08fc317

Commits on Jun 18, 2020

• [Model] Allow Reseting Model Parameters (awslabs#27)

  Show description for b7be8c8
  mufeili

  authored
  b7be8c8

  Copy full SHA for b7be8c8

Commits on Jun 15, 2020

• [Reaction Prediction] Fix the Multiprocessing Issue (awslabs#22)

  Show description for 448fbd0
  mufeili

  authored
  448fbd0

  Copy full SHA for 448fbd0

Commits on Jun 14, 2020

• [Molecule Embedding] Hot fix (awslabs#21)

  Show description for 268a033
  mufeili

  authored
  268a033

  Copy full SHA for 268a033

• [Molecule Embedding] Compute Molecule Embeddings with Pre-trained GNNs (awslabs#20)

  Show description for 961e27e
  mufeili

  authored
  961e27e

  Copy full SHA for 961e27e

Pagination

Previous

Next