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pyiron / pyiron_ontology

Combining pyiron and owlready2 for ontologically guided workflow design
BSD 3-Clause "New" or "Revised" License
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Ironflow codevelopment #12

Closed liamhuber closed 1 year ago

liamhuber commented 1 year ago

Some extra knowledge to facilitate surface energy calculations in the atomistics ontology, and a bunch of performance improvements -- getting the source tree for a surface energy is down to 68 ms, still painfully slow but manageable.

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github-actions[bot] commented 1 year ago

Binder :point_left: Launch a binder notebook on branch _pyiron/pyiron_ontology/ironflowcodevelopment