Issues

• lie_learn package issue "ModuleNotFoundError: No module named 'lie_learn.representations.SO3.irrep_bases'

  BenevolentAI/DeeplyTough#32 · Filter by author xuezhixie-cell opened on Jan 8, 2026

• Preprocessing script stops after one iteration

  BenevolentAI/DeeplyTough#31 · Filter by author Koenvz98 opened on Nov 19, 2025

• Train/test split for ProSPECCTs model

  BenevolentAI/DeeplyTough#29 · Filter by author robin-poelmans opened on Jun 6, 2025

• AssertionError

  BenevolentAI/DeeplyTough#27 · Filter by author adithigr opened on Sep 12, 2024
  3

• mdtraj==1.9.3 may cause failure when installing mdtraj

  BenevolentAI/DeeplyTough#25 · Filter by author huohuoxi opened on Oct 11, 2023
  1

• Vertex dataset lost some pocket PDB files

  BenevolentAI/DeeplyTough#24 · Filter by author mylRalph opened on Sep 10, 2023

• RuntimeError for custom_evaluation.py

  BenevolentAI/DeeplyTough#23 · Filter by author RobinPoelmans opened on May 11, 2023
  1

• No module named 'htmd.molecule.voxeldescriptors'

  BenevolentAI/DeeplyTough#22 · Filter by author Code-Temp opened on Apr 7, 2023
  1

• Pretrained model availability

  BenevolentAI/DeeplyTough#21 · Filter by author raghavchandra123 opened on Oct 24, 2022
  1

• Cannot retrieve some cluster files

  BenevolentAI/DeeplyTough#20 · Filter by author L40S38 opened on Sep 24, 2022
  2

• Using DeeplyTough as an embedder

  BenevolentAI/DeeplyTough#16 · Filter by author vinbl opened on Feb 18, 2022
  1

• Running custom dataset

  BenevolentAI/DeeplyTough#15 · Filter by author dansteiert opened on Feb 5, 2022
  1