https://github.com/cdk/cdk
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Tip revision: 5777492dafb6c63d23f9b65f9121a88c5fa45786 authored by John Mayfield on 09 July 2024, 11:51:13 UTC
Stabilise the CDK atom type based aromaticity model. This causes a small fraction of ChEMBL to change but overall is actually a bit close to the Daylight aromatic model.
Tip revision: 5777492
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.github
app
base
bundle
descriptor
display
doc
legacy
misc
src
storage
tool
.gitignore -rw-r--r-- 303 bytes
AUTHORS.txt -rw-r--r-- 1.8 KB
CITATION.cff -rw-r--r-- 1.8 KB
ISSUES.txt -rw-r--r-- 66 bytes
LICENSE.txt -rw-r--r-- 23.8 KB
README.md -rw-r--r-- 3.8 KB
checkstyle.xml -rw-r--r-- 648 bytes
codecov.yml -rw-r--r-- 15 bytes
pom.xml -rw-r--r-- 34.9 KB

README.md

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