Subject Guide
Chuck Huber
he/him/his
Contact:
UCSB Library, Room 2523A2
Univ. of California, Santa Barbara
Santa Barbara, CA 93106-9010
cfhuber@ucsb.edu
Univ. of California, Santa Barbara
Santa Barbara, CA 93106-9010
cfhuber@ucsb.edu
805-893-2762
Website
About Software Suppliers
Chemical software suppliers create, sell and distribute programs useful to chemists for property prediction, storage and management of chemical data, computational chemistry and more. Some provide free software of various kinds; many have useful free tutorials and help information their products. This list is not comprehensive and does not constitute an endorsement of the manufacturers. Be aware that many chemistry software programs, especially in computational chemistry and chemistry teaching, are created and distributed by universities and government laboratoires as well. Feel free to recommend additional listings to the author of this page.
Chemistry Software Suppliers
- Advanced Chemistry Development (ACD Labs)Spectroscopy, chromatography, chemical naming, chemical drawing and databasing, property prediction
Sample products: 2D NMR Predictor, ADME Suite, ChemSketch, PhysChem Suite, SpecManager
Freeware: ACD ChemSketch (for personal and academic use) - Biovia - Dassault SystemesSoftware based on their 3DEXPERIENCE platform, bincluding BIOVIA molecular modeling nd visualization software.
- Cadence - OpenEye SoftwareMolecular modelling, cheminformatics
Sample products: VIDA, VIVANT, BROOD, AFITT
No freeware as such, but does offer free academic licenses for their software for specified uses. - Cambridge Crystallographic Data Center (CCDC)Crystallographic database and related software, protein-ligand docking software
Sample products: Cambridge Crystallographic Database, GOLD Suite, DASH
Freeware: Mercury (crystal structure visualization software), enCIFer (crystallographic data editing software) - ChemaxonChemical structure building and visualization; property calculation and prediction; chemical database tools; chemical library analysis
Sample products: MarvinViewer, JChem Base, Name to Structure, Reactor, JKlustor - ChemInnovation SoftwareStructure drawing, e-notebooks, DNA cloning, molecular modelling, reference management
Sample products: Chem 4-D, PowerRef, Sequence 4-D, ChemSite - Chemistry Software.comMolecular modelling, reaction modelling, chemical inventory
CISPro, ItemTracker, HyperChem, HSC Chemistry, - Daylight Chemical Information SystemsCheminformatics databases and toolkits
Sample products: DayCart, THOR-Merlin, - DeepMatterChemical data management systems, including Storage and handling of structure and reaction information; chemical databases
Sample products: ICCartridge, ICChemdesk, CLASSIFY, SPRESIweb - GaussianComputational chemistry
Sample products: Gaussian, GaussView - inte:ligandPharmacophore discovery, virtual compound libraries
Sample products: LigandScout, ilib diverse - MetamolecularWeb-based cheminformatics and structure drawing
Sample products: Chemcaster, ChemWriter - MillsianMolecular modeling of diatomic, organic, organometallic, biomolecules, extended solids
Sample products: Millsian - Molecular WorkbenchFree, open-source tool for teaching simulations
Sample product (freeware): Molecular Workbench - OriginLabdata analysis and graphing
Sample product: Origin
Freeware: Origin Viewer - Q-ChemAb initio quantum chemistry calculation
Sample product: Q-Chem - Revvity SignalsFormerly PerkinElmer Informatics. chemistry and biology data management software, electronic notebooks, chemical databases
Sample products: ChemBioDraw Ultra, ChemBioOffice, Chemistry E-Notebook, - Schrödinger, Inc.drug discovery, molecular modeling, workflow automation
Sample products: Glide, Jaguar, Maestro, Prime - SCMScientific Computing and Modeling: Molecular modelling, solvent/liquid modelling, surface modelling
Sample products: ADF, BAND, COSMO - SemichemSemiempircal quantum mechanics; quantitative structure-activity relationships
Sample products: AMPAC, CODESSA - Serena SoftwareMolecular modelling
Sample products: Pcmodel, Orbdraw, Vibrate - Silk ScientificGraph digitizing, gel analysis
Sample products: UN-SCAN-IT, UN-SCAN-ITgel - SimBioSys (for Life Sciences)rational drug design, including ligand docking, pharmacophore modelling, 3D database search and visualization
Sample products: CLiDE, eHITS, CAESA, SPROUT
Freeware: CheVi (3D chemical visualization tool) - Wavefun.comMolecular modelling. chemistry teaching software
Sample products: Spartan, Odyssey, Trident - Wiley Science SolutionsSpectral databases & software,
Sample products: Know-It-All, - WolframData graphing, analysis and visualization
Sample products: Mathematica, Wolfram|Alpha
Freeware: Mathematica Viewer