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atomind
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mlip-arena
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5a10dde
mlip-arena
/
mlip_arena
/
tasks
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7 contributors
History:
72 commits
cyrusyc
bugfix: variable should be s not state from outer scope
5a10dde
5 months ago
combustion
Add `ORBv2` hydrogen combustion result (#32)
5 months ago
diatomics
High-throughput EOS flow on alloy systems (#30)
5 months ago
eos_alloy
bugfix save_to_hdf
5 months ago
stability
clearn up unused md; force to use the updated one
7 months ago
thermal-conductivity
update wte
7 months ago
README.md
Safe
479 Bytes
add relax task, eos workflow, and prefect test
8 months ago
__init__.py
Safe
1.81 kB
avoid prefect dependency on hf
8 months ago
eos.py
Safe
5.33 kB
bugfix: variable should be s not state from outer scope
5 months ago
md.py
Safe
13.8 kB
High-throughput EOS flow on alloy systems (#30)
5 months ago
optimize.py
Safe
4.23 kB
High-throughput EOS flow on alloy systems (#30)
5 months ago
registry.yaml
Safe
542 Bytes
High-throughput EOS flow on alloy systems (#30)
5 months ago
