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Commits
: Listings
Analyzed
3 months
ago. based on code collected
3 months
ago.
Jan 16, 2024 — Jan 16, 2025
Showing page 1 of 332
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some cmake cleanups (#8171)
Greg Landrum
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3 months ago
add highlight to _repr_html with simplified solution (#8166)
Anton Siomchen
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3 months ago
Fixes #8162 (#8164)
Greg Landrum
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3 months ago
Conformer embedding timeout (#8110)
Nikitas Rontsis
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3 months ago
Fixes #6679 (#8163)
Greg Landrum
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3 months ago
remove no-op macros and dead code (pt 2) (#8035)
Hussein Faara
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3 months ago
fix: apply modernize-use-nullptr (#8134)
Eisuke Kawashima
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3 months ago
fix (#8144)
Ricardo Rodriguez
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3 months ago
Fix leaks in MIF wrappers (#8143)
Ricardo Rodriguez
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3 months ago
efgs code (#8145)
bbu-imdea
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3 months ago
Expand on Explicit Valence Error - Partial Sanitization recipe (#8131)
Jeremy Monat
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3 months ago
relax two tolerances for ARM64 builds (#8148)
tadhurst-cdd
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3 months ago
fix SetPositions when using strided numpy array (#8150)
Richard Gowers
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3 months ago
Explain how to run doctests locally (#8135)
Jeremy Monat
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3 months ago
Fixes two out-of-bounds bugs in the InChI wrapper (#8126)
Greg Landrum
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3 months ago
Fix for removing bad stereo indications from Atropisomer parsing (#7984)
tadhurst-cdd
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4 months ago
Bad radical values are now ignored for MRV generation (#8130)
tadhurst-cdd
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4 months ago
SynthonSpace search timeout (#8070)
David Cosgrove
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4 months ago
GetAtomsMatchingQuery: Tell where to find query options for (#8132)
Jeremy Monat
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4 months ago
Add section `How to Build RDKit Documentation Locally` (#8120)
Jeremy Monat
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4 months ago
bump the max runtime for the slower CI builds to 120 minutes (#8122)
Greg Landrum
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4 months ago
- str_to_c() should initialize len to 0 even if memory allocation fails (#8112)
Paolo Tosco
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4 months ago
allow specified chiral features to SSS match unspecified features (#8115)
Greg Landrum
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4 months ago
normalizeDepiction() should always center coordinates on the coordinate centroid, irrespective of the canonicalize parameter (#8107)
Paolo Tosco
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4 months ago
Use endian-aware read/write for length of string. (#8105)
David Cosgrove
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4 months ago
SynthonSearch synth check (#8109)
David Cosgrove
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4 months ago
Avoid unnecessary matching (#8111)
Nikitas Rontsis
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4 months ago
Fixes #8096 (#8104)
Greg Landrum
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4 months ago
Fixes #1670 (#8093)
Greg Landrum
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4 months ago
Fixes #8092 (#8094)
Greg Landrum
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4 months ago
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