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atomind
/
mlip-arena
like
11
Running
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1
bd9f7b0
mlip-arena
4 contributors
History:
113 commits
cyrusyc
longer combustion trajs, add energy change, reaction energy
bd9f7b0
3 months ago
.github
some minor cleanup and test
3 months ago
mlip_arena
longer combustion trajs, add energy change, reaction energy
3 months ago
scripts
Add calculator test (#6)
3 months ago
serve
longer combustion trajs, add energy change, reaction energy
3 months ago
tests
Add calculator test (#6)
3 months ago
.gitignore
Safe
3.14 kB
update external calculator classes; update diatomic curves
3 months ago
CITATION.cff
Safe
641 Bytes
add orb model to diatomic tasks
3 months ago
LICENSE
Safe
11.4 kB
Initial commit
9 months ago
README.md
Safe
128 Bytes
update readme
3 months ago
environment.yml
Safe
11.2 kB
update external calculator classes; update diatomic curves
3 months ago
pyproject.toml
Safe
3.85 kB
Add COM drift for combustion (#10)
3 months ago
requirements.txt
Safe
163 Bytes
Rollback streamlit version to 1.36.0 for hf space compat. (#11)
3 months ago
