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High Activity
Commits
: Listings
Analyzed
1 day
ago. based on code collected
2 days
ago.
Jun 13, 2024 — Jun 13, 2025
Showing page 19 of 338
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Contributor
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Code Location
Date
C sharp failing to build (#7160)
Gareth Jones
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over 1 year ago
Fixes #7140 (#7150)
Greg Landrum
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over 1 year ago
fixing issue 5890 (#7152)
David Lounsbrough
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over 1 year ago
[v2 API] reaction parsers (#7138)
Greg Landrum
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over 1 year ago
fix a memory overwrite (#7147)
Greg Landrum
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over 1 year ago
restore the header installation (#7143)
Ric
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over 1 year ago
Fixes #7023 (#7136)
Ric
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over 1 year ago
Fixes #7131 (#7132)
Ric
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over 1 year ago
Support atropisomers in the conformer generator (#7098)
Greg Landrum
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over 1 year ago
require SWIG 4.1+ at cmake config time (#7139)
Riccardo Vianello
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over 1 year ago
Add a 'force' option to MolStandardizer::Uncharger (#7088)
Riccardo Vianello
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over 1 year ago
Fix a pathological slow case with the new getMolFrags() (#7121)
Greg Landrum
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over 1 year ago
expose EmbedParameters::coordMap to Python (#7086)
Greg Landrum
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over 1 year ago
Fixes #7128 (#7129)
Ric
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over 1 year ago
Sanitize parameter for LoadSDF (#7019) (#7020)
Christoph Hillisch
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over 1 year ago
Fixes #7122 (#7126)
Greg Landrum
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over 1 year ago
[v2 API] MRV parsers (#7110)
Greg Landrum
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over 1 year ago
Adds a new function to sanitize the components of a reaction like molecules (#7116)
Greg Landrum
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over 1 year ago
v2 API for the molecule CDXML parser (#7113)
Greg Landrum
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over 1 year ago
Fixes #7123 (#7124)
Ric
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over 1 year ago
Fixes #5499 (#7118)
Greg Landrum
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over 1 year ago
Fixes #7115 (#7117)
Brian Kelley
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over 1 year ago
support sanitization of reaction product templates (#7095)
Greg Landrum
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over 1 year ago
chore: fix blog link to new blog location (#7103)
Yakov Pechersky
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over 1 year ago
remove deprecated packages from rdkit.ML (#7107)
Greg Landrum
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over 1 year ago
Lipinski Rule of 5 was incorrectly described. (#7055)
Kollin Trujillo
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over 1 year ago
fix several warnings originating from the swig wrappers (#7063)
Riccardo Vianello
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over 1 year ago
Compatibility with pathlib.Path (#7100)
PatrickPenner
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over 1 year ago
Add v2 API to FileParsers (#7077)
Greg Landrum
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over 1 year ago
update font md5 sum (#7096)
Greg Landrum
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over 1 year ago
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