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mlip-arena
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7cc6c4a
mlip-arena
/
mlip_arena
/
models
4 contributors
History:
50 commits
Yuan (Cyrus) Chiang
Add convenient ZBL torch calculator (#44)
7cc6c4a
unverified
2 months ago
classicals
Add convenient ZBL torch calculator (#44)
2 months ago
externals
hotfix mattersim pickling issue; add phonon task (#42)
2 months ago
README.md
Safe
635 Bytes
add jobs tasks
about 1 year ago
__init__.py
Safe
4.27 kB
Add convenient ZBL torch calculator (#44)
2 months ago
mace.py
Safe
1.88 kB
refactor external calculators; better handle devices
9 months ago
registry.yaml
Safe
8.07 kB
Add convenient ZBL torch calculator (#44)
2 months ago
utils.py
Safe
1.46 kB
more logger; fix relaxation filter
3 months ago
