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Mehmet Aziz Yirik's Projects

algorithmicgrouptheory icon algorithmicgrouptheory

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 fields.

cdk icon cdk

The Chemistry Development Kit

eqgen icon eqgen

Equivalence Classes Based Structure Generator

graphgen icon graphgen

This repository is for the molecular graph generation methods.

hmd icon hmd

HMD (Hyperfast Molecule Deriver) is a molecular structure generator.

hydrogendistributor icon hydrogendistributor

HydrogenDistributor is a implicit hydrogen distributor. For a list of atoms, the algorithm calculates all the possible distributions of the given number of hydrogens.

maygen icon maygen

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

mol2inchi icon mol2inchi

InChI generation and Molecular Classification Based on InChI

partgen icon partgen

Integer Partitioning Based Structure Generator

re-implementation icon re-implementation

This repository includes re-implementations of structure generator algorithms.

sdfanalyser icon sdfanalyser

The repository is for handling with the SDF file based analysis.

surge icon surge

A Fast Chemical Graph Generator

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