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atomind
/
mlip-arena
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11
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00b56e2
mlip-arena
/
mlip_arena
/
tasks
4 contributors
History:
80 commits
Yuan (Cyrus) Chiang
convert `ResultRecord` to `result` if fetched from cache (#39)
00b56e2
unverified
about 1 month ago
combustion
Add `ORBv2` hydrogen combustion result (#32)
about 2 months ago
diatomics
High-throughput EOS flow on alloy systems (#30)
about 2 months ago
eos_alloy
fine tune eos alloy flow
about 2 months ago
stability
clearn up unused md; force to use the updated one
4 months ago
thermal-conductivity
update wte
3 months ago
README.md
Safe
479 Bytes
add relax task, eos workflow, and prefect test
4 months ago
__init__.py
Safe
1.76 kB
convert `ResultRecord` to `result` if fetched from cache (#39)
about 1 month ago
elasticity.py
Safe
7.91 kB
Add elasticity task (#37)
about 2 months ago
eos.py
Safe
5.76 kB
convert `ResultRecord` to `result` if fetched from cache (#39)
about 1 month ago
md.py
Safe
13.8 kB
High-throughput EOS flow on alloy systems (#30)
about 2 months ago
neb.py
Safe
9.41 kB
Add neb task (#38)
about 1 month ago
optimize.py
Safe
4.23 kB
High-throughput EOS flow on alloy systems (#30)
about 2 months ago
registry.yaml
Safe
542 Bytes
High-throughput EOS flow on alloy systems (#30)
about 2 months ago
utils.py
Safe
1.61 kB
Add neb task (#38)
about 1 month ago
