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High Activity
Commits
: Listings
Analyzed
1 day
ago. based on code collected
5 days
ago.
May 30, 2023 — May 30, 2024
Showing page 7 of 12
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Change the defaults for the conformer generation to be ETKDGv3 (#6985)
Greg Landrum
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6 months ago
Github6968 (#6979)
David Cosgrove
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6 months ago
Fixes #6983 (#6984)
Ric
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6 months ago
Fixes #6981 (#6982)
Ric
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6 months ago
- enable building stubs in both in-tree and out-of-tree builds (#6980)
Paolo Tosco
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6 months ago
Add in place and multithread support for more of the MolStandardize code (#6970)
Greg Landrum
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6 months ago
Fixes #6975 (#6972)
Greg Landrum
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6 months ago
Fixes #6973 (#6974)
Ric
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6 months ago
Fixes #6961 (#6971)
Greg Landrum
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6 months ago
Update molecular templates headers and drop bond-length tests (#6960)
github-actions[bot]
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6 months ago
drop zlib include (#6966)
Ric
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6 months ago
Fixes #6945 (#6948)
Ric
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6 months ago
minilib functions exposure: mmpa (#6902)
Leonid Stolbov
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6 months ago
fix #6958 (#6959)
Paolo Tosco
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6 months ago
- fix #6952 (#6953)
Paolo Tosco
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6 months ago
Fixes #6944 (#6950)
Ric
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6 months ago
fix build with external coordgen library (#6947)
Ric
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6 months ago
Add Python modules to generate stubs and automatically patch docstrings (#6919)
Paolo Tosco
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6 months ago
Some Clang-specific build instructions skip some clang compilers on mac #6941 (#6942)
Hussein Faara
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6 months ago
Set squiggle bonds to STEREOANY with stereo atoms (#6877)
Brian Kelley
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6 months ago
Better lasso highlighting (#6936)
David Cosgrove
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6 months ago
MolEnumerator: use repeat counts for SRUs when present #6429 (#6938)
Hussein Faara
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6 months ago
Add multi-threaded versions of some MolStandardize operations (#6909)
Greg Landrum
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6 months ago
Add (multithreaded) functions to the fingerprint generators for calculating multiple fingeprints in one call (#6910)
Greg Landrum
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6 months ago
Segfault in JSONToMols when "commonchem" is an int #6890 (#6940)
Hussein Faara
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6 months ago
Fix minimal build, allow building without boost::serialization (#6932)
Greg Landrum
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6 months ago
Fixes #5819 (#6897)
Greg Landrum
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6 months ago
Add multithreading to getBestRMS and new getAllConformerBestRMS (#6896)
Greg Landrum
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6 months ago
chore: update .gitignore (#6922)
Eisuke Kawashima
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7 months ago
Removing stereoatoms requires removing CIS/Trans stereo flags (#6901)
Brian Kelley
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7 months ago
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