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Dataset for end-to-end property prediction

Status: Open.

#125 In microsoft/mattersim;

· yuhao1982 opened on Jul 7, 2025

[Feat]: Support MatterSim for Numpy>=2

Status: Open.

#116 In microsoft/mattersim;

· kyonofx opened on Jun 3, 2025

[Feat]: Direct property predictor

Status: Open.

#115 In microsoft/mattersim;

· prometeios opened on May 21, 2025

[Bug]: Batch_to_dict function does not move Tensors to the correct device.

bugSomething isn't workingSomething isn't working

Status: Open.

#113 In microsoft/mattersim;

· CompRhys opened on Apr 18, 2025

[Bug]: ValueError: Buffer dtype mismatch, expected 'const int64_t' but got 'long'

bugSomething isn't workingSomething isn't working

Status: Open.

#112 In microsoft/mattersim;

· S1owFade opened on Apr 18, 2025

[Bug]: Is finetune in the code used for predict specified property ?

bugSomething isn't workingSomething isn't working

Status: Open.

#108 In microsoft/mattersim;

· yuhao1982 opened on Apr 3, 2025

[Bug]: where is graphformer module

bugSomething isn't workingSomething isn't working

Status: Open.

#107 In microsoft/mattersim;

· yuhao1982 opened on Apr 3, 2025

[Bug]: Unable to use BFGS optimizer in BatchRelaxer

bugSomething isn't workingSomething isn't working

Status: Open.

#97 In microsoft/mattersim;

· qchempku2017 opened on Mar 1, 2025

[Feat]: MatterSim pair_style for LAMMPS

Status: Open.

#88 In microsoft/mattersim;

· Dankomaister opened on Jan 24, 2025

[Bug]: Unable to pickle MatterSim ACE Calculator

bugSomething isn't workingSomething isn't working

Status: Open.

#83 In microsoft/mattersim;

· chiang-yuan opened on Jan 16, 2025

[Feat]: MD Accelaration and LAMMPS Integration

Status: Open.

#66 In microsoft/mattersim;

· HNUSTLingjunWu opened on Dec 20, 2024

[Bug]: moldyn.py line 103 calls NPT when you select NVT_NOSE_HOOVER

bugSomething isn't workingSomething isn't working

Status: Open.

#60 In microsoft/mattersim;

· dundarphys opened on Dec 6, 2024