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mlip-arena

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mlip-arena / mlip_arena /tasks

4 contributors

History: 52 commits

cyrusyc's picture

test md

4817e63 2 months ago

combustion
Add `eqV2_86M_omat_mp_salex` model (#14) 2 months ago
diatomics
Add `eqV2_86M_omat_mp_salex` model (#14) 2 months ago
eos
Add `eqV2_86M_omat_mp_salex` model (#14) 2 months ago
stability
clearn up unused md; force to use the updated one 2 months ago
README.md

479 Bytes

add relax task, eos workflow, and prefect test 3 months ago
__init__.py

1.81 kB

avoid prefect dependency on hf 3 months ago
md.py

13.4 kB

test md 2 months ago
optimize.py

3.79 kB

Add `eqV2_86M_omat_mp_salex` model (#14) 2 months ago
registry.yaml

603 Bytes

Add COM drift for combustion (#10) 3 months ago