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zachcp
rcdk:Interface to the 'CDK' Libraries
Allows the user to access functionality in the 'CDK', a Java framework for chemoinformatics. This allows the user to load molecules, evaluate fingerprints, calculate molecular descriptors and so on. In addition, the 'CDK' API allows the user to view structures in 2D.
Maintained by Zachary Charlop-Powers. Last updated 2 years ago.
1 stars 6.80 score 287 scripts 11 dependents