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1. surge surge Public

   Forked from StructureGenerator/surge

   A Fast Chemical Graph Generator

   C 2 1

2. MAYGEN MAYGEN Public

   MAYGEN is an open source chemical structure generator based on the orderly graph generation method.

   Java 47 16

3. PartGen PartGen Public

   Integer Partitioning Based Structure Generator

   Java

4. AlgorithmicGroupTheory AlgorithmicGroupTheory Public

   Algorithmic group theory functions shared in this repository are especially developed for the implementations in mathematical chemistry. However, the functions can also be used also in different fi…

   Java 4 2

5. cdk cdk Public

   Forked from cdk/cdk

   The Chemistry Development Kit

   Java 1

6. ProteinLigandDataCollection ProteinLigandDataCollection Public

   The source codes of my master thesis (2017) for protein-ligand interaction data collection.

   Python