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mlip-arena

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mlip-arena / mlip_arena /tasks

4 contributors

History: 77 commits

cyrusyc's picture

fine tune eos alloy flow

ef47233 3 months ago

combustion
Add `ORBv2` hydrogen combustion result (#32) 3 months ago
diatomics
High-throughput EOS flow on alloy systems (#30) 3 months ago
eos_alloy
fine tune eos alloy flow 3 months ago
stability
clearn up unused md; force to use the updated one 5 months ago
thermal-conductivity
update wte 5 months ago
README.md

479 Bytes

add relax task, eos workflow, and prefect test 6 months ago
__init__.py

1.81 kB

avoid prefect dependency on hf 6 months ago
eos.py

5.78 kB

fine tune eos alloy flow 3 months ago
md.py

13.8 kB

High-throughput EOS flow on alloy systems (#30) 3 months ago
optimize.py

4.23 kB

High-throughput EOS flow on alloy systems (#30) 3 months ago
registry.yaml

542 Bytes

High-throughput EOS flow on alloy systems (#30) 3 months ago