3 Pull requests merged by 2 people

• Add SE3LayerNorm, SE3RadialFunc and SE3PairwiseConv layers for SE3-Transformer model

  #4305 merged Mar 10, 2025

• fix: passes correct parameter to the pde residual function

  #4293 merged Mar 10, 2025

• Add Fiber layer for SE(3)-Transformer model

  #4277 merged Feb 26, 2025

32 Pull requests opened by 22 people

• Sharan/pinns tutorial

  #4294 opened Feb 18, 2025

• Added GraphRNN to torch models.

  #4297 opened Feb 20, 2025

• Fix grover finetuning

  #4298 opened Feb 20, 2025

• Update CONTRIBUTING.md - Include Upstream Remote Instruction

  #4299 opened Feb 21, 2025

• Fix deprecation warning related to experimental_relax_shapes in DeepChem

  #4301 opened Feb 23, 2025

• Protbert feat extractor

  #4302 opened Feb 24, 2025

• Protbert protein generation tutorial

  #4303 opened Feb 24, 2025

• I have solved issue no. #2819

  #4306 opened Mar 1, 2025

• fix compatibility issue with callback in tutorials

  #4313 opened Mar 2, 2025

• Tutorial bug fix2

  #4315 opened Mar 3, 2025

• Converted TensorFlow a2c.py models to PyTorch

  #4333 opened Mar 6, 2025

• fix apple silicon env creation

  #4337 opened Mar 6, 2025

• Bare Excepts Removed

  #4338 opened Mar 7, 2025

• Optimized build_char method from O(N*M) to O(N+MlogM)

  #4340 opened Mar 8, 2025

• Tutorial 10 fix clean

  #4342 opened Mar 9, 2025

• Fix smiles featurizer issue

  #4345 opened Mar 10, 2025

• Tutorial Fix: Atomic_Contributions_for_Molecules

  #4347 opened Mar 10, 2025

• Fixed the Tutorial: Transfer_Learning_With_ChemBERTa_Transformers.ipynb

  #4349 opened Mar 10, 2025

• Add SE3Cat, SE3Sum, SE3AvgPoolin, test CI unit test changes, and equivariance utils updates

  #4353 opened Mar 12, 2025

• Fixed broken links and added Colab notebook to tutorial

  #4354 opened Mar 12, 2025

• Fix : Corrected metric object indexing issue

  #4357 opened Mar 12, 2025

• Fixed broken links and added Colab notebook to tutorials

  #4358 opened Mar 12, 2025

• fixed the msa tutorial

  #4360 opened Mar 13, 2025

• GPU support for Weave Model

  #4361 opened Mar 13, 2025

• Fix 3161 normalizingflow

  #4362 opened Mar 14, 2025

• Add NormalizingFlow model to general_purpose_models.csv

  #4363 opened Mar 14, 2025

• Added open in colab button

  #4365 opened Mar 14, 2025

• Compatibility fix for NormalizingFlowModel and correct colab file link

  #4366 opened Mar 14, 2025

• Added Colab Notebooks and fixed few broken links - batch 1- reference to pr #4354

  #4367 opened Mar 14, 2025

• Added Colab Notebooks and fixed few broken links- batch 2 - reference to pr #4354

  #4368 opened Mar 14, 2025

• Added Colab Notebooks and fixed few broken links- batch 3 - reference to pr #4354

  #4369 opened Mar 14, 2025

• Added Colab Notebooks and fixed few broken links- batch 4 - reference to pr #4354

  #4370 opened Mar 14, 2025

2 Issues closed by 2 people

• unrecognized keyword arguments passed to BatchNormalization

  #4196 closed Mar 10, 2025

• Unexpected Output Shape When Using smiles_featurizer in dc.molnet.load_tox21

  #4343 closed Mar 10, 2025

15 Issues opened by 11 people

• Add an “Open in Colab” button

  #4364 opened Mar 14, 2025

• Chemberta PubChem 77M SMILES Dataset

  #4359 opened Mar 12, 2025

• Bug: TypeError 'Metric object is not subscriptable' in Advanced_Model_Training.ipynb

  #4356 opened Mar 12, 2025

• Bug In gan.py while trying to implement the BasicMolGAN class from molgan.py

  #4352 opened Mar 11, 2025

• AttributeError: 'NormalizingFlowModel' object has no attribute '_checkpoint'

  #4351 opened Mar 11, 2025

• Error in load_qm9 tutorial: "Explicit valence for atom # 1 C, 4, is greater than permitted"

  #4350 opened Mar 11, 2025

• Attribute Error

  #4348 opened Mar 10, 2025

• TypeError

  #4346 opened Mar 10, 2025

• Unexpected Output Shape When Using smiles_featurizer in dc.molnet.load_tox21

  #4344 opened Mar 10, 2025

• Optimization in test_cnn

  #4339 opened Mar 8, 2025

• Apple Silicon environment creation fails

  #4336 opened Mar 6, 2025

• Attribute Error

  #4335 opened Mar 6, 2025

• Port TensorFlow-based code in DeepChem to PyTorch

  #4304 opened Feb 26, 2025

• Type Annotations and Unresolved Types in DeepChem Codebase

  #4300 opened Feb 21, 2025

• Low GPU Utilization when fitting MultitaskFitTransformRegressor

  #4296 opened Feb 20, 2025

23 Unresolved conversations

Sometimes conversations happen on old items that aren’t yet closed. Here is a list of all the Issues and Pull Requests with unresolved conversations.

• Porting the layers used in chemception model

  #4286 commented on Mar 12, 2025 • 6 new comments

• Polymer Generator Tutorial [Paper Code @Debasish]

  #4276 commented on Feb 21, 2025 • 4 new comments

• Polymer Conversion Mechanism Tutorial [Paper Code @Debasish]

  #4289 commented on Feb 25, 2025 • 2 new comments

• Dag model torch

  #4260 commented on Mar 14, 2025 • 1 new comment

• Added GraphRNN model, test_graphrnn.py and GraphRNN_Tutorial.ipynb an…

  #4291 commented on Mar 5, 2025 • 0 new comments

• fixed small typo in equivariance tutorial

  #4271 commented on Mar 12, 2025 • 0 new comments

• PyTorch version The Basic Tools of the Deep Life Sciences.ipynb

  #4269 commented on Feb 22, 2025 • 0 new comments

• gpu support for GraphConv

  #4268 commented on Feb 27, 2025 • 0 new comments

• Porting the existing Tensorflow AttnLSTMEmbedding layer to PyTorch.

  #4259 commented on Mar 16, 2025 • 0 new comments

• Implement Early Stopping in Model Training for Optimized Performance

  #4165 commented on Mar 13, 2025 • 0 new comments

• Warning or error before saving a dataset to a directory with pre-existing files

  #3402 commented on Mar 12, 2025 • 0 new comments

• Add a Layers Cheatsheet

  #3326 commented on Mar 12, 2025 • 0 new comments

• Minor Fixes: Update Copyright Year and Contact Section Wording

  #4244 commented on Mar 11, 2025 • 0 new comments

• Exploring_Quantum_Chemistry_with_GDB1k tutorial doesn't work on Google Colab

  #2801 commented on Mar 10, 2025 • 0 new comments

• Document using Scikit-learn models for multilabel datasets with missing labels

  #3128 commented on Mar 9, 2025 • 0 new comments

• DeepChem/DeepScience Tutorial Wishlist

  #2907 commented on Mar 7, 2025 • 0 new comments

• load_hppb() cannot use RawFeaturizer

  #2350 commented on Mar 6, 2025 • 0 new comments

• Remove bare except usages

  #3137 commented on Mar 5, 2025 • 0 new comments

• README for requirements

  #2819 commented on Mar 1, 2025 • 0 new comments

• WeaveModel not working with cuda

  #4071 commented on Feb 28, 2025 • 0 new comments

• SeqToSeqModel Backwards Compatibility

  #4245 commented on Feb 28, 2025 • 0 new comments

• Port OntologyModel to PyTorch

  #3347 commented on Feb 28, 2025 • 0 new comments

• Bug in gan

  #4290 commented on Feb 17, 2025 • 0 new comments