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Konnektor integration #927
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RiesBen
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569895a
draft for Konnektor integration
RiesBen f73dea5
draft for Konnektor integration
RiesBen 85f2ff4
changing back to mappers iterable as parameter
RiesBen eab3238
consistently using Konnektor also in loading fep or orion net
RiesBen 639ef19
adding handles for Konnektor functionality.
RiesBen d36d37d
used black for formatting.
RiesBen 2e0878f
used black for formatting.
RiesBen 92c5b7c
Update environment.yml
RiesBen 6a37703
Update test_network_planning.py
RiesBen be12620
fixes for unittests:
RiesBen 6ef48f7
Update test_network_planning.py
RiesBen 92fc868
updating docstrings
atravitz 609ddc6
adjusting n_processes docstring language
atravitz 69eea0d
fixing central_ligand default
atravitz db191f4
rename mappers to mapper to avoid api break
atravitz 7f0cfe1
Revert "rename mappers to mapper to avoid api break"
atravitz 144d345
fixing mapper/s to avoid api break
atravitz 6d3e59a
switching arg names from 'ligands' to new 'components' keyword to mat…
atravitz 96de81b
Merge branch 'main' into KonnektorIntegration
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I think we need to make a Konnektor v0.2.0 release with this change, then pin this with
konnektor>=v0.2.0.