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matgl-qet

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App Files Files Community

32.4 kB

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2 contributors

History: 5 commits

Hiroki Fujiwara

fix: stress already in GPa — drop the bogus x160.21766208 conversion (MH-55)

feac843 27 days ago

__pycache__
MH-51: migrate to PyG (matgl 4.0.2) + MatPES — QET-PES-MatPES-PBE-2025.2 about 1 month ago
.gitattributes

1.52 kB
initial commit 6 months ago
Dockerfile

1.13 kB
MH-51: migrate to PyG (matgl 4.0.2) + MatPES — QET-PES-MatPES-PBE-2025.2 about 1 month ago
README.md

732 Bytes
Upload folder using huggingface_hub 6 months ago
app.py

12.2 kB
fix: stress already in GPa — drop the bogus x160.21766208 conversion (MH-55) 27 days ago