deepchem/moleculenet issues and pull requests

#43 - How to get ACNN pre_trained model

Issue - State: open - Opened by yqdzh over 1 year ago - 1 comment

#42 - Processing of QM7/QM9 Targets

Issue - State: open - Opened by FelixKatz77 about 3 years ago - 4 comments

#41 - Potential Processing Error in the Original QM8 Dataset on Some Tasks

Issue - State: open - Opened by rbharath about 3 years ago

#40 - Moleculenet data splits

Issue - State: open - Opened by ecvgit over 3 years ago - 3 comments

#39 - Create MolNet_Benchmark_Tutorial.ipynb

Pull Request - State: closed - Opened by ncfrey almost 4 years ago - 7 comments

#38 - SIDER dataset: numbers of samples disagree

Issue - State: open - Opened by LanceKnight almost 4 years ago - 1 comment

#37 - Make a list of models to benchmark

Issue - State: open - Opened by rbharath almost 4 years ago

#36 - Add benchmarks for interaction fingerprints

Pull Request - State: closed - Opened by ncfrey almost 4 years ago - 2 comments

#35 - Update the numbers for BBBP

Pull Request - State: closed - Opened by mufeili almost 4 years ago

#34 - [WIP] ACNN Benchmark

Pull Request - State: closed - Opened by ncfrey almost 4 years ago - 5 comments

#33 - Therapeutics Data Commons

Issue - State: open - Opened by rbharath almost 4 years ago - 2 comments

#32 - Discrepancy in BBBP Numbers?

Issue - State: closed - Opened by rbharath almost 4 years ago - 5 comments

#31 - mp_metallicity dataloader issue

Issue - State: open - Opened by yuanqidu almost 4 years ago

#30 - perovskite data loader issue

Issue - State: open - Opened by yuanqidu almost 4 years ago - 1 comment

#29 - band gap dataset loading issue

Issue - State: open - Opened by yuanqidu almost 4 years ago - 1 comment

#28 - Lipo dataset added

Pull Request - State: closed - Opened by yuanqidu almost 4 years ago - 3 comments

#27 - KAGGLE dataset loader

Issue - State: closed - Opened by yuanqidu almost 4 years ago - 2 comments

#26 - SIDER dataset added

Pull Request - State: closed - Opened by yuanqidu almost 4 years ago - 5 comments

#25 - About HPPB

Issue - State: open - Opened by mufeili almost 4 years ago - 2 comments

#24 - Two Submissions on HOPV

Pull Request - State: closed - Opened by mufeili almost 4 years ago

#23 - Using RD-Filters on MoleculeNet datasets

Issue - State: open - Opened by rbharath about 4 years ago

#22 - Two Submissions on Delaney

Pull Request - State: closed - Opened by mufeili about 4 years ago - 2 comments

#21 - Two Submissions on ClinTox

Pull Request - State: closed - Opened by mufeili about 4 years ago - 1 comment

#20 - Two Submissions on Clearance

Pull Request - State: open - Opened by mufeili about 4 years ago - 4 comments

#19 - Two Submissions on BBBP

Pull Request - State: closed - Opened by mufeili about 4 years ago - 1 comment

#18 - Previous MoleculeNet Benchmark Score

Issue - State: open - Opened by nissy-dev about 4 years ago

#17 - Two Submissions on BACE Regression

Pull Request - State: closed - Opened by mufeili about 4 years ago - 1 comment

#16 - GCN with MolGraphConv Featurization on BACE

Pull Request - State: closed - Opened by mufeili about 4 years ago - 2 comments

#15 - Non-canonical smiles confound string-based classifiers

Issue - State: open - Opened by cyrusmaher about 4 years ago - 10 comments
Labels: bug

#15 - Non-canonical smiles confound string-based classifiers

Issue - State: open - Opened by cyrusmaher about 4 years ago - 10 comments
Labels: bug

#14 - Random Forest with 1024-bit ECFP2 on BACE

Pull Request - State: closed - Opened by mufeili about 4 years ago - 5 comments

#13 - Filtering False Positives from MoleculeNet datasets

Issue - State: open - Opened by rbharath over 4 years ago - 1 comment
Labels: discussion

#12 - Improving Moleculenet's metrics

Issue - State: open - Opened by rbharath over 4 years ago
Labels: discussion

#11 - Add Thorough Documentation on How to Contribute a Dataset to MoleculeNet

Issue - State: open - Opened by rbharath over 4 years ago - 2 comments
Labels: documentation, good first issue, help wanted

#10 - GEOM dataset

Issue - State: open - Opened by rbharath over 4 years ago
Labels: help wanted

#9 - Creating Scripts to Run MoleculeNet Suite Automatically

Issue - State: open - Opened by rbharath over 4 years ago
Labels: good first issue, help wanted

#8 - Include Preprocessing Information

Issue - State: open - Opened by rbharath almost 5 years ago

#7 - Remove support classes?

Issue - State: closed - Opened by rbharath almost 5 years ago - 1 comment

#6 - Moleculenet module renaming

Issue - State: closed - Opened by rbharath almost 5 years ago - 2 comments

#5 - Add CLA to this repo

Issue - State: closed - Opened by rbharath almost 5 years ago - 1 comment

#4 - [WIP] Porting some code in from deepchem

Pull Request - State: closed - Opened by rbharath almost 5 years ago - 1 comment

GitHub / deepchem/moleculenet issues and pull requests