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project_automation.yaml
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matchms merge/subset tool import issue Add issues to project #41: Issue #447 opened by zargham-ahmad
November 27, 2023 09:17 12s
November 27, 2023 09:17 12s
matchms networking Identifier key is not an optional variable Add issues to project #40: Issue #445 opened by chufz
November 23, 2023 14:29 15s
November 23, 2023 14:29 15s
matchms_formatter only works when 'compound_name' is present Add issues to project #39: Issue #444 opened by chufz
November 23, 2023 14:05 12s
November 23, 2023 14:05 12s
Update matchms suite to 0.24.0 Add issues to project #38: Issue #440 opened by hechth
November 21, 2023 16:57 13s
November 21, 2023 16:57 13s
Change all output table types to tabular unless they are parquet Add issues to project #37: Issue #439 opened by hechth
November 21, 2023 13:53 12s
November 21, 2023 13:53 12s
matchms networking: fix compatability with newer matchms tools Add issues to project #36: Issue #435 opened by hechth
November 19, 2023 12:15 15s
November 19, 2023 12:15 15s
Update recetox-msfinder to version that writes log files Add issues to project #35: Issue #434 opened by hechth
November 16, 2023 16:27 12s
November 16, 2023 16:27 12s
Add CID support to QCxMS Add issues to project #34: Issue #433 opened by hechth
November 2, 2023 17:30 15s
November 2, 2023 17:30 15s
Implement an interactive tool or visualization to view molecular structures in 3D Add issues to project #33: Issue #432 opened by hechth
November 2, 2023 17:30 16s
November 2, 2023 17:30 16s
matchms spectral library subsetting tool Add issues to project #32: Issue #431 opened by hechth
November 2, 2023 17:28 16s
November 2, 2023 17:28 16s
Find a tool which enables filtering coordination complexes and mixtures from a list of SMILES Add issues to project #31: Issue #430 opened by hechth
November 2, 2023 17:27 17s
November 2, 2023 17:27 17s
matchms scores formatter numpy import issues Add issues to project #30: Issue #429 opened by hechth
October 26, 2023 14:25 13s
October 26, 2023 14:25 13s