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DeepRank / deeprank2 Public

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refactor: `Query` classes and related code#492

Merged

DaniBodor merged 23 commits intodevDeepRank/deeprank2:devfrom 480_newDeepRank/deeprank2:480_newCopy head branch name to clipboard

Nov 7, 2023

+796-1,186

Conversation Commits23 (23)Checks Files changed

Commits

Commits on Sep 22, 2023

rename Query class to DeepRankQuery
DaniBodor
committed
make DeepRankQuery a dataclass with common args
DaniBodor
committed
improve readability of DeepRankQuery methods
DaniBodor
committed
create generic SingleResidueVariantQuery
DaniBodor
committed
merge SRV build methods
DaniBodor
committed
merge both PPI queries into single dataclass
DaniBodor
committed
improve readability of PPI helper functions
DaniBodor
committed
default distance_cutoff dependent on situation
DaniBodor
committed
update and refactor tests, notebooks, and READMEs
DaniBodor
committed
remove obsolete hydrogenation code
DaniBodor
committed
replace _load_ppi_atoms function
DaniBodor
committed
remove _get_atom_node_key method
DaniBodor
committed

Commits on Nov 3, 2023

make _load_pssm_data a method of DeepRankQuery
DaniBodor
committed
make _check_pssm a method of DeepRankQuery
DaniBodor
committed
update type hinting in query.py to 3.10 format
DaniBodor
committed
move QueryCollection to end of module
DaniBodor
committed
refactor QueryCollection
DaniBodor
committed
define separate parent and child build methods
DaniBodor
committed
refactor child specific helper functions of build
DaniBodor
committed
update linter
DaniBodor
committed
update docstrings and error messages
DaniBodor
committed
make distance cutoff uniform for query types
DaniBodor
committed
rename DeepRankQuery back to Query
DaniBodor
committed

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