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Include extracted simulation metadata node for MD runs with `sander` - #146

Merged

jkalayan merged 6 commits into

mainfrom

143-feature-add-metadata-extraction

Oct 1, 2026

Commits on Oct 1, 2026

build: Update dependencies and require Python 3.12
jkalayan
committed
9e2d362
fix: Remove rogue print statement
jkalayan
committed
cdc8df2
feat: Add extracted simulation metadata node
jkalayan
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bc3a7a9
test(sander): verify metadata node creation for MD runs
jkalayan
committed
1acdd55
ci: Update python version matrix
jkalayan
committed
c551a08
fix: Duplicate version of Python in CI matrix
jkalayan
committed
4026c4a