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Achievements

Achievement: Pair ExtraordinaireAchievement: QuickdrawAchievement: YOLOAchievement: Arctic Code Vault ContributorAchievement: StarstruckAchievement: Pull Sharkx3

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@cdk

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  • beam Public

    SMILES Toolkit

    Java 24 8 Other Updated Oct 21, 2024

  • rdkit Public

    Forked from rdkit/rdkit

    The official sources for the RDKit library

    HTML BSD 3-Clause "New" or "Revised" License Updated Oct 21, 2024

  • InChI Public

    Forked from IUPAC-InChI/InChI

    Main InChI repository

    C MIT License Updated Aug 5, 2024

  • jna-inchi Public

    Forked from dan2097/jna-inchi

    Wrapper to access InChI from Java

    Java GNU Lesser General Public License v2.1 Updated Jul 22, 2024

  • opsin Public

    Forked from dan2097/opsin

    Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion

    Java MIT License Updated Sep 4, 2023

  • rdpath-ugm22 Public

    A more efficient path/daylight based fingerprint in RDKit

    C BSD 2-Clause "Simplified" License Updated Oct 11, 2022

  • ReactionDecoder Public

    Forked from asad/ReactionDecoder

    Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool

    Java GNU Lesser General Public License v3.0 Updated Jan 11, 2022

  • cmlxom Public

    Forked from BlueObelisk/cmlxom

    A Java library for processing CML.

    Java Other Updated Jan 4, 2022

  • inchikey-compress Public

    Java 1 Updated Mar 24, 2021

  • efficient-bits Public

    Self-contained projects for code examples from efficientbits.blogspot.com posts.

    Java 3 1 BSD 2-Clause "Simplified" License Updated Nov 11, 2020

  • mdk Public

    Model Development Kit (MDK) - a library for managing metabolic information related to models. This code was created by members of the Cheminformatics and Metabolism group, EMBL-EBI

    Java 5 6 Updated Oct 13, 2020

  • vmtouch Public

    Forked from hoytech/vmtouch

    Portable file system cache diagnostics and control

    C Other Updated Mar 9, 2020

  • ketcher Public

    Forked from epam/ketcher

    Web-based molecule sketcher

    JavaScript Apache License 2.0 Updated Feb 25, 2020

  • IUPAC_SMILES_plus Public

    Forked from IUPAC/IUPAC_SMILES_plus

    IUPAC SMILES+ Specification

    Other Updated Jul 30, 2019

  • openbabel Public

    Forked from openbabel/openbabel

    Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

    C++ GNU General Public License v2.0 Updated Feb 27, 2019

  • inchi-ma Public

    InChI Metal Architecture Proof of Concept

    Java 5 1 GNU Lesser General Public License v2.1 Updated Feb 5, 2019

  • cdkbook Public

    Forked from egonw/cdkbook

    Groovy Cheminformatics with the Chemistry Development Kit

    Groovy Creative Commons Attribution Share Alike 4.0 International Updated Dec 26, 2018

  • ChemistryToolkitCDK Public

    Forked from PistoiaHELM/ChemistryToolkitCDK
    Java MIT License Updated Feb 23, 2018

  • cdk-paper-3 Public

    Forked from cdk/cdk-paper-3

    Repository with the Latex source code for the CDK III paper.

    TeX Updated May 5, 2017

  • Indigo Public

    Forked from epam/Indigo

    Universal cheminformatics libraries, utilities and database search tools

    C++ Other Updated Mar 7, 2017

  • cdk Public

    Forked from jonalv/cdk

    The Chemistry Development Kit

    Java 5 Updated Mar 7, 2017

  • layout-benchmark Public

    Chemical structure (tough) test set for writing and improving 2D layout generation.

    1 Updated Oct 27, 2016

  • superatoms Public

    Forked from openbabel/superatoms

    Public repository of chemistry aliases (aka "superatom") and SMILES expansions

    1 The Unlicense Updated Sep 10, 2015

  • HELMNotationToolkit Public

    Forked from PistoiaHELM/HELMNotationToolkit

    Repository for HELM Notation Toolkit project

    Java MIT License Updated Sep 9, 2015

  • jchempaint Public

    Forked from JChemPaint/jchempaint

    Chemical 2D structure editor application/applet based on the Chemistry Development Kit

    Java Updated Mar 7, 2015

  • metingear Public

    An open source desktop application for creating and curating genome scale metabolic networks with chemical structure. This code was created by members of the Cheminformatics and Metabolism group, E…

    Java 5 3 Updated Mar 1, 2015

  • pgchem_tigress Public

    Forked from bgruening/pgchem_tigress

    Pgchem::tigress is the chemoinformatics extension to the PostgreSQL DBMS. It enables PostgreSQL to handle molecules through SQL statements.

    C++ Updated Feb 12, 2015

  • signatures Public

    Forked from gilleain/signatures

    A rewrite of the signature code in java to be toolkit independent

    Java MIT License Updated Dec 29, 2014

  • caf Public

    Provides some basic foundation components that are often required for Java desktop applications. Similar to ResourceBundles the .yml and .properties injectors separate the ui description text from …

    Java 1 Updated Oct 2, 2014

  • OpenSMARTS Public

    Forked from timvdm/OpenSMARTS

    Open Standard for the SMARTS chemical query language (Extends OpenSMILES)

    Python Updated Jul 22, 2014