skinniderlab / CLM
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Merge pull request #287 from skinniderlab/s4

Refactors the configuration and command-line interfaces for training and sampling molecular models

6 of 18 new or added lines in 2 files covered. (33.33%)

11 existing lines in 2 files now uncovered.

2117 of 3089 relevant lines covered (68.53%)

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3089 RELEVANT LINES 2117 COVERED LINES
0.69 HITS PER LINE
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Builds Branch Commit Type Ran Committer Via Coverage
21552790155 master Merge pull request #287 from skinniderlab/s4 Refactors the configuration and command-line interfaces for training and sampling molecular models push web-flow github
68.53
21529970740 master Merge pull request #288 from skinniderlab/sa/fix-warnings reduce excessive warnings and logging (re-submission) push web-flow github
64.33
21394922178 master Merge pull request #279 from skinniderlab/inchikey14-and-sanitize-generated push web-flow github
64.32
21342447024 master Merge pull request #281 from skinniderlab/s4 push web-flow github
64.24
20366900504 master updated black version in pre-commit file and disabled some flake8 checks (#278) push web-flow github
63.66
20112677532 master Merge pull request #274 from skinniderlab/mas/forecast-cli Fix CLI args for forecast.py push web-flow github
63.66
19904413224 master Merge pull request #273 from skinniderlab/mas/no-pubchem Make pubchem_file optional in write_structural_prior_CV push web-flow github
63.66
16150717191 master run up to at least process_tabulated_molecules w/ 1 fold (#272) push web-flow github
63.61
13931460030 master insert try,except for smile_properties_dataframe (#268) * insert try,except for smile_properties_dataframe * only catching AtomValenceException --------- Co-authored-by: spavelites <spavelites@princeton.edu> Co-authored-by: anushka255 <aa9078@... push web-flow github
63.61
13765986980 master fix typo (#269) push web-flow github
63.59
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