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openforcefield / dimsim Public

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Data entry types#24

Draft

mattwthompson wants to merge 12 commits intomainopenforcefield/dimsim:mainfrom

data-entry-typesopenforcefield/dimsim:data-entry-typesCopy head branch name to clipboard

Conversation Commits12 (12)Checks Files changed

Draft

Data entry types#24
mattwthompson wants to merge 12 commits intomainfrom
data-entry-types

Commits

Commits on Feb 2, 2026

Draft new ThermoML-like data entry type
mattwthompson
committed
Port most of Evaluator's ThermoML parsing
mattwthompson
committed

Commits on Feb 3, 2026

Port more code
mattwthompson
committed
Port more code
mattwthompson
committed
Progress towards passing tests
mattwthompson
committed
Closer to passing tests
mattwthompson
committed

Commits on Feb 4, 2026

More directly port over more Evaluator code
mattwthompson
committed
Try using new configs?
mattwthompson
committed

Commits on Feb 12, 2026

Merge remote-tracking branch 'upstream/main' into data-entry-types
mattwthompson
committed
Refactor ThermoML parsing
mattwthompson
committed
Half of single-property parsing tests are passing
mattwthompson
committed
Fix dielectric test
mattwthompson
committed

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