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Commits : Listings

Analyzed 1 day ago. based on code collected 2 days ago.
Jun 13, 2024 — Jun 13, 2025
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
C sharp failing to build (#7160) More... over 1 year ago
Fixes #7140 (#7150) More... over 1 year ago
fixing issue 5890 (#7152) More... over 1 year ago
[v2 API] reaction parsers (#7138) More... over 1 year ago
fix a memory overwrite (#7147) More... over 1 year ago
restore the header installation (#7143)
Ric
More... over 1 year ago
Fixes #7023 (#7136)
Ric
More... over 1 year ago
Fixes #7131 (#7132)
Ric
More... over 1 year ago
Support atropisomers in the conformer generator (#7098) More... over 1 year ago
require SWIG 4.1+ at cmake config time (#7139) More... over 1 year ago
Add a 'force' option to MolStandardizer::Uncharger (#7088) More... over 1 year ago
Fix a pathological slow case with the new getMolFrags() (#7121) More... over 1 year ago
expose EmbedParameters::coordMap to Python (#7086) More... over 1 year ago
Fixes #7128 (#7129)
Ric
More... over 1 year ago
Sanitize parameter for LoadSDF (#7019) (#7020) More... over 1 year ago
Fixes #7122 (#7126) More... over 1 year ago
[v2 API] MRV parsers (#7110) More... over 1 year ago
Adds a new function to sanitize the components of a reaction like molecules (#7116) More... over 1 year ago
v2 API for the molecule CDXML parser (#7113) More... over 1 year ago
Fixes #7123 (#7124)
Ric
More... over 1 year ago
Fixes #5499 (#7118) More... over 1 year ago
Fixes #7115 (#7117) More... over 1 year ago
support sanitization of reaction product templates (#7095) More... over 1 year ago
chore: fix blog link to new blog location (#7103) More... over 1 year ago
remove deprecated packages from rdkit.ML (#7107) More... over 1 year ago
Lipinski Rule of 5 was incorrectly described. (#7055) More... over 1 year ago
fix several warnings originating from the swig wrappers (#7063) More... over 1 year ago
Compatibility with pathlib.Path (#7100) More... over 1 year ago
Add v2 API to FileParsers (#7077) More... over 1 year ago
update font md5 sum (#7096) More... over 1 year ago