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Analyzed 11 months ago. based on code collected 11 months ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Jan 20, 2023 — Jan 20, 2024 Showing page 2 of 38 Search / Filter on:
Merge topic 'python-molecule-file-quick-write' into master	kylelutz as Kyle Lutz	More...				over 12 years ago
Merge topic 'improve-coordinate-predictor' into master	kylelutz as Kyle Lutz	More...				over 12 years ago
Add Python bindings for MoleculeFile::quickWrite()	kylelutz as Kyle Lutz	More...				over 12 years ago
Add Python bindings for the eliminateCloseContacts() method	kylelutz as Kyle Lutz	More...				over 12 years ago
Add CoordinatePredictor::eliminateCloseContacts() method	kylelutz as Kyle Lutz	More...				over 12 years ago
Predict terminal hydrogen positions after heavy atoms	kylelutz as Kyle Lutz	More...				over 12 years ago
Add "--no-optimization" flag to chemkit-gen3d	kylelutz as Kyle Lutz	More...				over 12 years ago
Merge topic 'cml-property-read-support' into master	kylelutz as Kyle Lutz	More...				over 12 years ago
Add support for reading molecule properties in CML files	kylelutz as Kyle Lutz	More...				over 12 years ago
Merge topic 'sanitize-json-strings' into master	kylelutz as Kyle Lutz	More...				over 12 years ago
Merge topic 'extend-python-bindings' into master	kylelutz as Kyle Lutz	More...				over 12 years ago
Merge topic 'shape-descriptors' into master	kylelutz as Kyle Lutz	More...				over 12 years ago
Merge topic 'fix-atomic-number-typer' into master	kylelutz as Kyle Lutz	More...				over 12 years ago
Fix bug in which JSON strings were not sanitized	kylelutz as Kyle Lutz	More...				over 12 years ago
Fix bug in the atomic-number atom typer	kylelutz as Kyle Lutz	More...				over 12 years ago
Add molecular shape descriptors plugin	kylelutz as Kyle Lutz	More...				over 12 years ago
Add Python bindings for the PartialChargeModel class	kylelutz as Kyle Lutz	More...				over 12 years ago
Add Python bindings for the MoleculeGeometryOptimizer class	kylelutz as Kyle Lutz	More...				over 12 years ago
Add Python bindings for the CoordinatePredictor class	kylelutz as Kyle Lutz	More...				over 12 years ago
Add Python bindings for the BondPredictor class	kylelutz as Kyle Lutz	More...				over 12 years ago
Add Python bindings for the AtomTyper class	kylelutz as Kyle Lutz	More...				over 12 years ago
Add Python bindings for Atom::type() and setType()	kylelutz as Kyle Lutz	More...				over 12 years ago
Merge topic 'python-file-write-string' into master	kylelutz as Kyle Lutz	More...				over 12 years ago
Merge topic 'python-file-read-string' into master	kylelutz as Kyle Lutz	More...				over 12 years ago
Merge topic 'link-with-python-libraries' into master	kylelutz as Kyle Lutz	More...				over 12 years ago
Merge topic 'chemjson-lower-case' into master	kylelutz as Kyle Lutz	More...				over 12 years ago
Use lower-case keys for the Chemical JSON format	kylelutz as Kyle Lutz	More...				over 12 years ago
Add MoleculeFile.writeString() method	kylelutz as Kyle Lutz	More...				over 12 years ago
Add MoleculeFile.readString() method	kylelutz as Kyle Lutz	More...				over 12 years ago
Add MoleculeFile.setFormat() method	kylelutz as Kyle Lutz	More...				over 12 years ago

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