towards v1.0 #64
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towards v1.0 #64
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* Update visualisation of molecules to 2D * parallelization bug fix * example: adding charge data * widget scroll sensitivity improvement. * bug fix clusteredNetworker understands now own default. * Changes: * analysis: * minor modifications on cycle analysis (only check for cylce of size 3 per default) * make delete more performant, by deleting multiple transformations/components at once if wanted. * adding graph cost and efficiency * jnbs: *Adding text to Example JnB. network -planners: * minor refactors * display fix, correct number of expected edges. * minor text improvments * Update widget.py passing variable trough from top to bottom. * Changes: - Notebook improvements, more documentation, black formatting - improving network generator documentation - vscode -> gitignore * applied black to code. * adding pre-commit and dependencies * fixing konnektor_networks.ipynb. * fixing konnektor_networks.ipynb. * fixing konnektor_example.ipynb. * Update pyproject.toml * fix networks.ipynb * fix widget --------- Co-authored-by: Julicancode <[email protected]>
* parallelization bug fix * example: adding charge data * widget scroll sensitivity improvement. * bug fix clusteredNetworker understands now own default. * Changes: * analysis: * minor modifications on cycle analysis (only check for cylce of size 3 per default) * make delete more performant, by deleting multiple transformations/components at once if wanted. * adding graph cost and efficiency * jnbs: *Adding text to Example JnB. network -planners: * minor refactors * display fix, correct number of expected edges. * minor text improvments * Changes: - Notebook improvements, more documentation, black formatting - improving network generator documentation - vscode -> gitignore * applied black to code. * adding pre-commit and dependencies * make ipycytoscape optional.
IAlibay
approved these changes
Aug 21, 2024
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@IAlibay |
changed jupyter notebooks.
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@IAlibay here are the jupyter notebook changes contained now :) |
* adding intermediate generator to konnektor * adding abstract class gufe style, making intermediator tokenizable. --------- Co-authored-by: LindeSchoenmaker <[email protected]>
RiesBen
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This PR lifts Konnektor to v1.0
it contains a lot of improvements and bug fixes on visualizations, network planners and documentation.
additionally it introduces a precommit hook for black