deepchem/deepchem issues and pull requests

#3848 - Issue with Json Loader

Issue - State: closed - Opened by shreyasvinaya 7 months ago

#3847 - issue:#3836-Fixing Handling of NoneType in default_generator Function

Pull Request - State: open - Opened by Harshith-07 7 months ago - 6 comments

#3846 - Reduce import warnings

Pull Request - State: closed - Opened by arunppsg 7 months ago

#3845 - Added Cell counting Tutorial

Pull Request - State: closed - Opened by aaronrockmenezes 7 months ago - 1 comment

#3844 - Update homepage glitter to discord

Pull Request - State: closed - Opened by P-Kelley 7 months ago

#3843 - rebased cramloader

Pull Request - State: closed - Opened by KitVB 7 months ago

#3842 - Update `load_from_pretrained` method for HF models

Pull Request - State: open - Opened by arunppsg 7 months ago

#3841 - Porting TextCNN base model to Torch

Pull Request - State: closed - Opened by Shiva-sankaran 7 months ago - 1 comment

#3840 - Update homepage glitter to discord

Pull Request - State: closed - Opened by P-Kelley 7 months ago

#3839 - Updating tutorials from glitter to discord

Pull Request - State: closed - Opened by P-Kelley 7 months ago - 1 comment

#3838 - Some questions about the Hugging Face Models.

Issue - State: open - Opened by davidRFB 7 months ago - 4 comments

#3837 - Updating deepchem's splitters tutorial

Pull Request - State: closed - Opened by Dragonwagon18 7 months ago - 1 comment

#3836 - Training on datasets without `y` attribute (ex: unsupervised-learning) throws AttributeError

Issue - State: open - Opened by arunppsg 8 months ago

#3835 - Update tutorials to discord

Pull Request - State: closed - Opened by P-Kelley 8 months ago - 1 comment

#3834 - Fixing ScanPy Tutorial

Pull Request - State: open - Opened by HridayM25 8 months ago - 1 comment

#3833 - Enable uncertainty quantification on newer models

Issue - State: open - Opened by z-q-y 8 months ago - 2 comments

#3832 - Update tutorials

Pull Request - State: closed - Opened by karannb 8 months ago - 1 comment

#3831 - Updating deepchem's splitters tutorial

Pull Request - State: closed - Opened by Dragonwagon18 8 months ago - 2 comments

#3830 - cramloader

Pull Request - State: closed - Opened by KitVB 8 months ago

#3829 - Improved energy calculation of FermiNet using vectorized hessian and jacobian

Pull Request - State: closed - Opened by shaipranesh2 8 months ago

#3828 - Porting TextCNN model from Tensorflow to Torch

Pull Request - State: closed - Opened by Shiva-sankaran 8 months ago - 2 comments

#3827 - update: ProgresiveMultitask

Pull Request - State: closed - Opened by gauthamk02 8 months ago - 1 comment

#3826 - Ci Fix - Storage issues on github runners

Pull Request - State: closed - Opened by shreyasvinaya 8 months ago

#3825 - Bamloader

Pull Request - State: closed - Opened by KitVB 8 months ago

#3824 - ImportError: cannot import name 'GraphConvModel' from 'deepchem.models'

Issue - State: open - Opened by saejinoh 8 months ago - 2 comments

#3823 - New Release

Issue - State: closed - Opened by CompRhys 8 months ago - 5 comments

#3822 - port: ProgressiveMultitask Regressor and Classifier

Pull Request - State: closed - Opened by gauthamk02 8 months ago - 4 comments

#3821 - deepchem import issue with haiku and jax

Issue - State: closed - Opened by mihirdate 8 months ago - 2 comments

#3820 - Fix IndexError #3810

Pull Request - State: closed - Opened by quincylin1 8 months ago - 2 comments

#3819 - adding FermiNet tutorial

Pull Request - State: closed - Opened by shaipranesh2 8 months ago - 1 comment

#3818 - protein-ligand tut fix

Pull Request - State: open - Opened by Prateek-Upadhya 8 months ago - 1 comment

#3817 - DFT Part-3

Pull Request - State: closed - Opened by GreatRSingh 8 months ago

#3816 - Molgan GPU Support

Pull Request - State: closed - Opened by shreyasvinaya 8 months ago - 1 comment

#3815 - Ci fixes

Pull Request - State: closed - Opened by shreyasvinaya 8 months ago - 1 comment

#3814 - MolGAN Torch Model

Pull Request - State: closed - Opened by shreyasvinaya 8 months ago

#3813 - Update env_dqc.yml

Pull Request - State: closed - Opened by GreatRSingh 8 months ago

#3812 - rebased bamloader

Pull Request - State: closed - Opened by KitVB 8 months ago

#3811 - CI Fix

Pull Request - State: closed - Opened by shreyasvinaya 8 months ago

#3810 - IndexError when `max_checkpoints_to_keep=0` in TorchModel's

Issue - State: closed - Opened by arunppsg 8 months ago - 6 comments

#3809 - added BAMLoader

Pull Request - State: closed - Opened by KitVB 8 months ago

#3808 - AttributeError: module 'scipy.stats' has no attribute 'gilbrat'

Issue - State: closed - Opened by wasifferoze 8 months ago - 2 comments

#3807 - Dft part-2

Pull Request - State: closed - Opened by GreatRSingh 8 months ago

#3806 - Fix pypi build

Pull Request - State: closed - Opened by shreyasvinaya 8 months ago

#3805 - update to discord

Pull Request - State: closed - Opened by P-Kelley 8 months ago - 1 comment

#3804 - Fixing SingletaskStratifiedSplitter

Pull Request - State: open - Opened by HridayM25 8 months ago

#3803 - Working on SingletaskStratifiedSplitter

Pull Request - State: closed - Opened by HridayM25 8 months ago

#3802 - CI fix - MordredFeat assertion error

Pull Request - State: closed - Opened by aaronrockmenezes 8 months ago

#3801 - Highway layer torch

Pull Request - State: closed - Opened by Shiva-sankaran 8 months ago

#3800 - CI Fixes

Pull Request - State: closed - Opened by shreyasvinaya 8 months ago

#3799 - rebased samloader

Pull Request - State: closed - Opened by KitVB 8 months ago - 2 comments

#3798 - BBBC5 Cell Counting Loader Addition

Pull Request - State: closed - Opened by aaronrockmenezes 8 months ago

#3797 - Intermittent RDKit errors when importing latest deepchem version on Windows 11

Issue - State: open - Opened by z-q-y 8 months ago - 3 comments

#3796 - How to load and train on a significantly large dataset? [question]

Issue - State: closed - Opened by UnixJunkie 8 months ago - 2 comments

#3795 - Fix pypi build

Pull Request - State: closed - Opened by shreyasvinaya 8 months ago

#3794 - Ci fixes

Pull Request - State: closed - Opened by shreyasvinaya 8 months ago

#3793 - Dft Part - 1 [Current Open Pulls]

Pull Request - State: closed - Opened by GreatRSingh 9 months ago - 1 comment

#3791 - Doctest fix FermiNet

Pull Request - State: closed - Opened by shaipranesh2 9 months ago - 2 comments

#3790 - Deepchem and tensorflow

Issue - State: open - Opened by 11140321 9 months ago

#3789 - Docs Build Fix

Pull Request - State: closed - Opened by shreyasvinaya 9 months ago

#3788 - BBBC0003 Loader Addition

Pull Request - State: closed - Opened by aaronrockmenezes 9 months ago

#3787 - Wgan fix

Pull Request - State: closed - Opened by shreyasvinaya 9 months ago - 1 comment

#3786 - Added BAMLoader

Pull Request - State: closed - Opened by KitVB 9 months ago

#3785 - SAMLoader

Pull Request - State: closed - Opened by KitVB 9 months ago - 1 comment

#3784 - added samloader

Pull Request - State: closed - Opened by KitVB 9 months ago

#3783 - DQC Windows

Pull Request - State: closed - Opened by GreatRSingh 9 months ago

#3782 - port: base ProgressiveMultitask model to torch

Pull Request - State: closed - Opened by gauthamk02 9 months ago - 1 comment

#3781 - Doctest Ci error fixes

Pull Request - State: closed - Opened by GreatRSingh 9 months ago - 2 comments

#3780 - Fixed ImageLoader mypy issues

Pull Request - State: closed - Opened by aaronrockmenezes 9 months ago

#3779 - Fixing inconsistency in docstring

Pull Request - State: closed - Opened by HridayM25 9 months ago

#3778 - Porting A2C Algorithm to PyTorch

Pull Request - State: open - Opened by NimishaDey 9 months ago

#3777 - Purefunction-1

Pull Request - State: closed - Opened by GreatRSingh 9 months ago

#3776 - adding ionic charge initialization using Hartree-Fock for FermiNet

Pull Request - State: closed - Opened by shaipranesh2 9 months ago - 1 comment

#3775 - Adding output logging for fermient

Pull Request - State: closed - Opened by shaipranesh2 9 months ago

#3774 - Radial Grid and Grid Transformations

Pull Request - State: open - Opened by GreatRSingh 9 months ago

#3774 - Radial Grid and Grid Transformations

Pull Request - State: closed - Opened by GreatRSingh 9 months ago

#3773 - symeig utility functions - 2

Pull Request - State: closed - Opened by GreatRSingh 9 months ago

#3772 - Port progressive multitask

Pull Request - State: closed - Opened by gauthamk02 9 months ago

#3772 - Port progressive multitask

Pull Request - State: open - Opened by gauthamk02 9 months ago

#3771 - update tutorials from glitter to discord

Pull Request - State: closed - Opened by P-Kelley 9 months ago - 1 comment

#3770 - [WIP] Ray multi-cpu featurization

Pull Request - State: closed - Opened by arunppsg 9 months ago

#3770 - [WIP] Ray multi-cpu featurization

Pull Request - State: open - Opened by arunppsg 9 months ago

#3769 - BBBC0003 Loader Addition

Pull Request - State: closed - Opened by aaronrockmenezes 9 months ago

#3769 - BBBC0003 Loader Addition

Pull Request - State: open - Opened by aaronrockmenezes 9 months ago

#3768 - update tutorials from glitter to discord

Pull Request - State: closed - Opened by P-Kelley 9 months ago - 1 comment

#3767 - fix pytorch geometric dependency

Pull Request - State: closed - Opened by P-Kelley 9 months ago

#3767 - fix pytorch geometric dependency

Pull Request - State: closed - Opened by P-Kelley 9 months ago

#3766 - Minor fixes to PyTorch Lightning

Pull Request - State: closed - Opened by arunppsg 9 months ago

#3765 - pi

Pull Request - State: open - Opened by ajaywayase 9 months ago

#3764 - symeig utility functions - 2

Pull Request - State: closed - Opened by GreatRSingh 9 months ago

#3763 - dqclibs utils

Pull Request - State: closed - Opened by GreatRSingh 9 months ago - 1 comment

#3762 - Testing XiTorch Env

Pull Request - State: closed - Opened by GreatRSingh 9 months ago

#3761 - Solve Equations helper functions Part-2

Pull Request - State: closed - Opened by GreatRSingh 9 months ago

#3760 - Layers Patches

Pull Request - State: closed - Opened by shreyasvinaya 9 months ago

#3759 - AttributeError: 'numpy.ndarray' object has no attribute 'atom_features'

Issue - State: open - Opened by mukherjeesutanu 9 months ago - 1 comment

#3758 - [WIP] Compute ROC/PRC Curves for Multitask Datasets

Pull Request - State: open - Opened by HridayM25 9 months ago - 1 comment

#3757 - Solve Equations helper functions Part-1

Pull Request - State: closed - Opened by GreatRSingh 9 months ago

#3756 - symeig utility functions - 1

Pull Request - State: closed - Opened by GreatRSingh 9 months ago

#3755 - CRAMLoader

Pull Request - State: closed - Opened by KitVB 9 months ago

#3754 - BAMloader

Pull Request - State: closed - Opened by KitVB 9 months ago

#3753 - pure functions

Pull Request - State: closed - Opened by GreatRSingh 9 months ago

GitHub / deepchem/deepchem issues and pull requests