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I wanna know about the training time of Uni-Mol on the 3D structures of organic molecules

Status: Open.

#369 In deepmodeling/Uni-Mol;

· LiYong4128 opened on Feb 1, 2026

[BUG] Wrong calculation on feat["pair_type"] in Uni-Mol2

bugSomething isn't workingSomething isn't working

Status: Open.

#368 In deepmodeling/Uni-Mol;

· xuanliugit opened on Jan 20, 2026

📚 Daily Automated arXiv Updates for AI4Chem Papers

Status: Open.

#367 In deepmodeling/Uni-Mol;

· YuzeHao2023 opened on Jan 18, 2026

How to choose the model size we want and run the local model path?

wontfixThis will not be worked onThis will not be worked on

Status: Open.

#366 In deepmodeling/Uni-Mol;

· Zhouzz22 opened on Jan 12, 2026

[Question] Clarification on units for QM9 property prediction benchmarks in Uni-Mol2

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#365 In deepmodeling/Uni-Mol;

· YuX-Ren opened on Jan 4, 2026

[BUG] Inconsistent representations between batch and single inference in Uni-Mol2 (Suspected Self-Attention Mask Issue)

bugSomething isn't workingSomething isn't working

Status: Open.

#364 In deepmodeling/Uni-Mol;

· thelittlewen opened on Jan 2, 2026

Even with only the random seed being different, the prediction results vary greatly.

Status: Open.

#362 In deepmodeling/Uni-Mol;

· jia-huang opened on Nov 12, 2025

How to run Uni-Dock v2 with docker?

wontfixThis will not be worked onThis will not be worked on

Status: Open.

#360 In deepmodeling/Uni-Mol;

· jeremycheminf opened on Sep 8, 2025

test AUC

Status: Open.

#359 In deepmodeling/Uni-Mol;

· mxqmxqmxq opened on Sep 3, 2025

[BUG] wrong pose in unimol docking v2

bugSomething isn't workingSomething isn't working

Status: Open.

#358 In deepmodeling/Uni-Mol;

· yangjinhao1234 opened on Aug 21, 2025

[BUG] total_train_steps was not calculated or passed in correctly

bugSomething isn't workingSomething isn't working

Status: Open.

#357 In deepmodeling/Uni-Mol;

· jia-huang opened on Aug 14, 2025

[BUG] _RuntimeError: p.is_cuda() INTERNAL ASSERT FAILED at "/home/runner/work/Uni-Core/Uni-Core/csrc/adam/interface.cpp":10, please report a bug to PyTorch. p must be a CUDA tensor

bugSomething isn't workingSomething isn't working

Status: Open.

#356 In deepmodeling/Uni-Mol;

· jia-huang opened on Aug 11, 2025