ENSIKLOPEDIA Cari Tekan Enter untuk memulai pencarian cepat. Kembali ke Ensiklopedia Arsip Wikipedia Indonesia RDKit RDKitOpen-source toolkit for cheminformatics RDKitDeveloperGreg LandrumInitial release2006; 20 years ago (2006)Stable release2023.03.1 / March 30, 2023; 3 years ago (2023-03-30) Written inC++ and PythonOperating systemLinux, macOS, and Microsoft WindowsPlatformManyAvailable inEnglishTypeChemoinformaticsLicenseBSD License 2.0Websitewww.rdkit.orgRepositorygithub.com/rdkit/rdkit RDKit is open-source toolkit for cheminformatics. It was developed by Greg Landrum with numerous additional contributions from the RDKit open source community. It has an application programming interface (API) for Python, Java, C++, and C#.[1] References ↑ Brown, N (2015). "Appendix D: RDKit". In Silico Medicinal Chemistry: Computational Methods to Support Drug Design. [Cambridge]: Royal Society of Chemistry. pp. 199–200. ISBN 978-1-78262-260-4. External links Official website Rdkit on GitHub vteComputational chemistry softwareCheminformaticsOpen source Bioclipse Blue Obelisk Chemistry Development Kit ECCE JOELib OELib Open Babel RDKit Proprietary AlvaDesc Canvas Chemicalize Discovery Studio OEChem TK ChemicalkineticsOpen source APBS Cantera KPP Proprietary Autochem Chemical WorkBench CHEMKIN COSILAB DelPhi Khimera Molecularmodelling,visualizationList of molecular graphics systems Open source Ascalaph Designer Avogadro BALL Biskit Gabedit Ghemical Jmol Molekel PyMOL QuteMol RasMol Proprietary Abalone ACD/ChemSketch Atomistix ToolKit ChemDraw ChemWindow EzMol Gaussian Maestro MarvinSketch MarvinView MODELLER Molecular Operating Environment SAMSON Spartan UCSF Chimera VIDA VMD MoleculardockingList of protein-ligand docking software Open source AutoDock AutoDock Vina FlexAID rDock Proprietary Glide LeDock Molecular Operating Environment OEDocking MoleculardynamicsOpen source CP2K GROMACS LAMMPS OpenMM PLUMED Proprietary Abalone AMBER CHARMM CPMD Desmond GROMOS NAMD QuantumchemistryList of quantum chemistry and solid-state physics software Open source ABINIT ACES (CFOUR) AIMAll BigDFT COLUMBUS CONQUEST CP2K Dalton DIRAC DP code FLEUR FreeON MADNESS MOPAC MPQC NWChem Octopus ORCA (academic) OpenMolcas PARSEC PSI PyQuante PySCF Quantum ESPRESSO (PWscf) RMG SIESTA VB2000 YAMBO code Proprietary ADF AMPAC DMol3 CADPAC CASINO CASTEP CPMD CRUNCH CRYSTAL FHI-aims Firefly GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA (industrial) PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB SkeletalstructuredrawingOpen source JChemPaint Molsketch XDrawChem Proprietary ACD/ChemSketch BIOVIA Draw ChemDoodle ChemDraw ChemWindow JME Molecule Editor MarvinSketch PICTO Others Aqion EXC code GenX GSim Mercury CrystalExplorer ICM (ICM-Browser) Materials Studio Molden OpenChrom SASHIMI
