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atomind
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mlip-arena
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4091f40
mlip-arena
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mlip_arena
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tasks
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7 contributors
History:
81 commits
Yuan (Cyrus) Chiang
promote run deps, bump prefect and mace versions (#40)
4091f40
5 months ago
combustion
Add `ORBv2` hydrogen combustion result (#32)
6 months ago
diatomics
High-throughput EOS flow on alloy systems (#30)
6 months ago
eos_alloy
fine tune eos alloy flow
6 months ago
stability
clearn up unused md; force to use the updated one
8 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
1.76 kB
convert `ResultRecord` to `result` if fetched from cache (#39)
5 months ago
elasticity.py
Safe
7.91 kB
Add elasticity task (#37)
6 months ago
eos.py
Safe
5.59 kB
promote run deps, bump prefect and mace versions (#40)
5 months ago
md.py
Safe
13.8 kB
High-throughput EOS flow on alloy systems (#30)
6 months ago
neb.py
Safe
9.41 kB
Add neb task (#38)
6 months ago
optimize.py
Safe
4.23 kB
High-throughput EOS flow on alloy systems (#30)
6 months ago
registry.yaml
Safe
542 Bytes
High-throughput EOS flow on alloy systems (#30)
6 months ago
utils.py
Safe
1.61 kB
Add neb task (#38)
6 months ago
