microsoft/mattersim

MatterSim: A deep learning atomistic model across elements, temperatures and pressures.

Stars: 598
Forks: 97
Open beginner issues: 0
Indexed issues: 5

Dominant language: Python
License: MIT
Last GitHub push: Aug 20, 2026
Latest indexed: Sep 19, 2026
Contributing guide: Contributing guide
Code of conduct: Code of conduct
Beginner labels: No beginner labels indexed
PR merge metrics: No merged PRs in 30d

Beginner friendly Everything

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5 open issues indexed

[Bug]: GraphConverter.convert silently truncates atom_pos/cell to float32, ignoring the calculator's requested dtype Open

bug

Difficulty 2/5 1-3 hours Newbie friendliness 78/100

microsoft/mattersim#171 · Opened Aug 11, 2026
[Bug]:MatterSimCalculator.__setstate__ ignores saved model architecture, causing copy() to rebuild the wrong-sized model Open

bug

Difficulty 3/5 1-2 days Newbie friendliness 72/100

microsoft/mattersim#169 · Opened Aug 3, 2026
Dependency management Open

bug

Difficulty 3/5 1-2 days Newbie friendliness 55/100

microsoft/mattersim#165 · 1 comment · 1 reaction · Opened Jun 18, 2026
Three critical regressions in MatterSim 1.2.5: TorchSim NaNs, CUDA fine-tune device mismatch, and incorrect batched three-body indices Open

Difficulty 4/5 3-5 days Newbie friendliness 48/100

microsoft/mattersim#163 · Opened Jun 9, 2026
[Bug]: TorchSim backend returns NaN on some structures Open

bug

Difficulty 4/5 3-5 days Newbie friendliness 48/100

microsoft/mattersim#162 · Opened Jun 9, 2026

A short digest of beginner-friendly GitHub issues.