Pinned Loading

1. FelixBaensch/MORTAR FelixBaensch/MORTAR Public

   MOlecule fRagmenTAtion fRamework

   Java 20 3

2. cdk/cdk-scaffold cdk/cdk-scaffold Public

   Chemistry Development Kit module for scaffold functionalities

   Java 3 1

3. SugarRemoval SugarRemoval Public

   The Sugar Removal Utility - An algorithmic approach for in silico removal of circular and linear sugars from molecular structures.

   Java 7 2

4. ErtlFunctionalGroupsFinder ErtlFunctionalGroupsFinder Public

   Forked from zielesny/ErtlFunctionalGroupsFinder

   Open reimplementation of the Ertl algorithm for functional group identification based on the Chemistry Development Kit (CDK)

   Java 2 1

5. ART2a-Clustering-for-Java ART2a-Clustering-for-Java Public

   Implementation of the ART2a fingerprint clustering algorithm in Java.

   Java 1 2

6. FragmentFingerprints FragmentFingerprints Public

   A library to generate fingerprints for molecular structures based on a set of fragments

   Java 1 1