Issues

• ProteinNet documents 40 test proteins, but the pinned archive contains 34

  DeepGraphLearning/torchdrug#265 · Filter by author adpartin opened on Sep 6, 2026

• Import torchdrug on colab

  DeepGraphLearning/torchdrug#264 · Filter by author beyzoskaya opened on Sep 14, 2025

• help with fine tuning

  DeepGraphLearning/torchdrug#263 · Filter by author fonseca-dfm opened on Jul 29, 2025

• Reaction class is given or unknown in the retrosynthesis？

  DeepGraphLearning/torchdrug#262 · Filter by author PGCJ opened on Jul 24, 2025

• ATen/SparseTensorUtils.h: No such file or directory

  DeepGraphLearning/torchdrug#258 · Filter by author EauDeData opened on Nov 4, 2024
  1

• Hello, I encountered the following error when running the code with torchdrug. I have been reporting this error for a long time after debugging. Could you help me, please?

  DeepGraphLearning/torchdrug#257 · Filter by author lh5533223 opened on Oct 6, 2024
  1

• Forward loss calculate in the NodePropertyPrediction

  DeepGraphLearning/torchdrug#256 · Filter by author fourier20laplace opened on Sep 27, 2024

• Has this project stopped being maintained?

  DeepGraphLearning/torchdrug#255 · Filter by author LYZ02 opened on Sep 2, 2024

• Quick Start problem. RuntimeError: Error building extension 'torch_ext'

  DeepGraphLearning/torchdrug#249 · Filter by author SatorioK opened on May 8, 2024

• Incompatible with huggingface transformers?

  DeepGraphLearning/torchdrug#248 · Filter by author hxu105 opened on Apr 8, 2024
  2

• ESM, max length issues using ESM-gearnet-serial model

  DeepGraphLearning/torchdrug#247 · Filter by author gkwlgns323 opened on Mar 8, 2024
  2

• subprocess.CalledProcessError: Command '['c++', '-v']' returned non-zero exit status 1.

  DeepGraphLearning/torchdrug#245 · Filter by author Filco306 opened on Feb 12, 2024
  1

• issues with reproducing pLogP benchmark for GPCN

  DeepGraphLearning/torchdrug#244 · Filter by author chrisvdwerf opened on Jan 21, 2024

• Segmentation fault

  DeepGraphLearning/torchdrug#243 · Filter by author t1nglanwang opened on Jan 16, 2024
  1

• class Molecule(Graph), definition of "self.atom2valence"

  DeepGraphLearning/torchdrug#241 · Filter by author teltim opened on Dec 4, 2023

• atom_feature="symbol" is only available for class GCPNGeneration() ?

  DeepGraphLearning/torchdrug#240 · Filter by author teltim opened on Nov 30, 2023
  1

• graph with global features, and mydataset

  DeepGraphLearning/torchdrug#239 · Filter by author teltim opened on Nov 29, 2023

• [Note] Dead lock when running layers.GraphIsomorphismConv (issue located in sparse_coo_tensor)

  DeepGraphLearning/torchdrug#238 · Filter by author jasperhyp opened on Nov 28, 2023

• torchdrug.patch.py breaks use of ConcatDataset

  DeepGraphLearning/torchdrug#237 · Filter by author bbrier opened on Nov 23, 2023
  1

• Small issue in atom2valence dictionary iteration in Molecule.is_valid

  DeepGraphLearning/torchdrug#236 · Filter by author UmarZein opened on Nov 20, 2023

• Nan error while using GraphAF to optimize QED

  DeepGraphLearning/torchdrug#235 · Filter by author LuckyLittleMonster opened on Nov 15, 2023

• Statistics and data splitting scheme on PPI datasets

  DeepGraphLearning/torchdrug#234 · Filter by author sduzxj opened on Nov 9, 2023
  2

• example for tasks.MultipleBinaryClassification

  DeepGraphLearning/torchdrug#233 · Filter by author GZ82 opened on Nov 8, 2023
  2

• To load huge dataset, and train the model

  DeepGraphLearning/torchdrug#232 · Filter by author teltim opened on Nov 1, 2023

• torch_ext.so cannot be found error on Macbook macOS

  DeepGraphLearning/torchdrug#229 · Filter by author GZ82 opened on Oct 31, 2023
  2