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445 Open 1,235 Closed
445 Open 1,235 Closed
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Issues list

fit_on_batch for SklearnModels where BaseEstimator supports partial_fit
#3973 opened May 13, 2024 by Jack-42
3
some question for RdkitGridFeaturizer.featurize input
#3971 opened May 11, 2024 by ErikZhang-9762
1
Is MolGAN incompatible with max_atoms=31 or ZINC250k dataset
#3962 opened Apr 25, 2024 by UmarZein
4
Trouble saving models (MultitaskClassifier)
#3945 opened Apr 8, 2024 by kshen-noble
chore(build): migrate to pyproject.toml for packaging
#3943 opened Apr 8, 2024 by SauravMaheshkar
Mulliken charges missing in QM9 dataset
#3941 opened Apr 5, 2024 by arunraja-hub
Feature Labels for MolGraphConvFeaturizer
#3926 opened Mar 26, 2024 by sumone-compbio
10
Minor Issues with Tutorials
#3915 opened Mar 22, 2024 by GreatRSingh
1
6
Reproducibility issue with different splitters. Every time I rerun the splitter I get different train test scores. What can I do to reproduce the results? The differences are significant.
#3897 opened Mar 13, 2024 by v-saini
3
[DOC] Reference in losses.py (GroverPretrainLoss) is missing.
#3868 opened Feb 26, 2024 by oleeviyababu
1
Installation process from Contribution guide
#3864 opened Feb 25, 2024 by AlessioBray
1 of 3 tasks
4
[DOC] Bullet points are not rendered properly in the documentation of MultiHeadedMATAttention class in layers.py
#3857 opened Feb 24, 2024 by oleeviyababu
1
2
Discrepancy in both the parameter description and the method signature in class DTNNGather.
#3854 opened Feb 24, 2024 by oleeviyababu
1
Some questions about the Hugging Face Models.
#3838 opened Feb 18, 2024 by davidRFB
4
Training on datasets without y attribute (ex: unsupervised-learning) throws AttributeError
#3836 opened Feb 15, 2024 by arunppsg
1
Enable uncertainty quantification on newer models
#3833 opened Feb 13, 2024 by z-q-y
2
ImportError: cannot import name 'GraphConvModel' from 'deepchem.models'
#3824 opened Feb 7, 2024 by saejinoh
2
Intermittent RDKit errors when importing latest deepchem version on Windows 11
#3797 opened Jan 22, 2024 by z-q-y
2
Deepchem and tensorflow
#3790 opened Jan 18, 2024 by 11140321
3 tasks
AttributeError: 'numpy.ndarray' object has no attribute 'atom_features'
#3759 opened Jan 1, 2024 by mukherjeesutanu
1
Documentation Updates Required
#3715 opened Dec 13, 2023 by shreyasvinaya
1 of 4 tasks
2
This there pretrained model available on deepchem framework
#3700 opened Dec 9, 2023 by LeslieWongCV
Add Support for Recurrent Neural Networks (RNNs) in KFACOptimizer Class
#3683 opened Nov 21, 2023 by neuronphysics
8
FreeSolv database is wrong
#3682 opened Nov 18, 2023 by GregorySchwing
1
TypeError: torch_geometric.data.data.Data() got multiple values for keyword argument 'pos'
#3668 opened Nov 9, 2023 by sk000007
1
ProTip! What’s not been updated in a month: updated:<2024-04-14.