Chemistry

Linux4Chemistry Linux4Chemistry- An up-to-date directory of Linux software for chemistry. Lists more than 100 free and commercial programs. Chemical Informatics Letters Chemical Informatics Letters- The latest news in chemical informatics, links to relevant web sites, analysis and discussion. Computational Chemistry List - Software Computational Chemistry List - Software- Archive of chemistry software for Unix, MS-DOS, Windows, Mac. Includes source code in most cases. Frowns Frowns- Free chemoinformatics toolkit geared toward rapid development of chemistry related algorithms. Written in Python with a small portion written in C++. PerlMol PerlMol- Free Perl modules for molecular chemistry. Tutorial, reference manual, downloads and mailing list. CACTVS System CACTVS System- A distributed client/server system for the computation, management, analysis and visualization of chemical information of any type. Tool collection for several Unix… Open Babel Open Babel- Open-source C++ library for molecule file conversion and pattern matching. Software Development Lohninger Software Development Lohninger- Software and programming components for Delphi and C++Builder covering mathematics, statistics, scientific graphing, and chemistry. Chemoventory Chemoventory- Web based chemical inventory software with bar coding, MSDS management, and automated emails. Uses PHP and MySQL. CHEMATIX CHEMATIX- Chemical inventory management and tracking Java-based software. Introductory Guide to Chemical Database Systems Introductory Guide to Chemical Database Systems- Background notes describing a common technique used to index chemical structure information within modern (O)RDBMS systems. Discus… Data Aspects' Corp Data Aspects' Corp- Chemical lab: sample, test and results software. Chemical Inventory System Chemical Inventory System- CISPRO 2000 chemical and supply tracking software. Molecular Networks GmbH Molecular Networks GmbH- Software for drug design, combinatorial chemistry, organic reactions and synthesis, data mining, and data warehousing. AKos Consulting & Solutions GmbH AKos Consulting & Solutions GmbH- Provides chemoinformatics software to search, mine, calculate, simulate, store, register, enter, display, print, publish and correlate structures… Medit Medit- Providers of software solutions for molecular modelling and cheminformatics, using structural experimental data as the guideline for drug design. Quantumwise Quantumwise- Producers of first-principles simulation software for nanoscience used to model the electronic structure of molecules, crystals and surfaces. CambridgeSoft CambridgeSoft- Computational, database, communication and drawing software for chemists. Desert Scientific Software Desert Scientific Software- Provides software for medicinal research. Focused in structure based drug design and developing methods for predicting protein-ligand binding affinitie… OpenEye Scientific Software OpenEye Scientific Software- Provides software and toolkits for structure-based drug design. gNova Scientific Software gNova Scientific Software- Provides consulting services and CHORD, a database cartridge for adding substructure search and other chemical functions to PosgreSQL. CHEMAPPS CHEMAPPS- Specializes in the development of life science applications for medicinal chemistry professionals. Parallel Quantum Solutions Parallel Quantum Solutions- Manufactures parallel computers for high-performance computational chemistry. Molsoft L.L.C. Molsoft L.L.C.- Provider of tools, databases and consulting services in the area of structure prediction, bioinformatics, cheminformatics, molecular visualization, and rational dr… Molfunction - Institute of Molecular Function Molfunction - Institute of Molecular Function- Producer of Homology Modeling for HyperChem, Gaussian Interface for HyperChem, ONIOM Interface for Receptor, and Docking Study with … Eidogen-Sertanty Eidogen-Sertanty- Provider of knowledge-based drug discovery solutions to biotechnology and pharmaceutical organizations through software, content, and collaborative service arran… Semichem, Inc. Semichem, Inc.- Develops programs, such as AMPAC and CODESSA, based on semiempirical molecular orbital methods. Chemical Computing Group (CCG) Chemical Computing Group (CCG)- Develops MOE, the Molecular Operating Environment, a package for high throughput discovery, bioinformatics, and computer aided molecular design. Daylight Chemical Information Systems Daylight Chemical Information Systems- Offers an integrated set of programs and libraries for chemical information processing. Based on the SMILES linear notation. Q-Chem, Inc. Q-Chem, Inc.- Developer and provider of quantum chemistry software for ab initio electronic structure calculations. ChemAxon ChemAxon- Programs, Java applets and other Java tools for chemistry, client-server applications, chemical databases, web site development. Chemical Simulations Group Chemical Simulations Group- Software and consulting services to the pharmaceutical, biotechnology, and chemical industries. QuantumBio QuantumBio- Develops solutions for Computer-Assisted Molecular Modeling and Computer-Assisted Drug Design, with emphasis on semiempirical quantum mechanics and bioinformatics. Scientific Instrument Services Scientific Instrument Services- SIMION ion optics software and more than 200 scientific software products in mass spectrometry, chromatography, quality control, chemical inventory… Molecular Discovery Ltd. Molecular Discovery Ltd.- Producer of GRID, a program for determining energetically favorable binding sites on molecules of known structure, and other "tools to derive high qualit… Tripos, Inc Tripos, Inc- Producer of sybyl, a computational tool kit for molecular design and analysis. Hypercube, Inc Hypercube, Inc- Producer of HyperChem, a molecular modeling package for windows and HyperNMR, a program for prediction of one-dimensional NMR spectra. Wavefunction, Inc Wavefunction, Inc- Producer of spartan, a quantum chemical calculation program with nice visualization opportunities. Advanced Chemistry Development Advanced Chemistry Development- Specializes in Windows and applet-based software for structure drawing, nomenclature, NMR processing and prediction, chemical databases, and predic… Gaussian, Inc Gaussian, Inc- Contains manuals and other useful information related to the Gaussian98 program for quantum chemical calculation. Accelrys, Inc Accelrys, Inc- Producer of various molecular modeling and simulation software for both life and materials science research, like cerius, catalyst, insightII, quanta. ChemSW ChemSW- Chemistry Software for Windows. Includes structure drawing, MSDS management, chemical inventories, quality control, databases, data analysis, and education and training. O… Chemistry-Software.com Chemistry-Software.com- Sells software for organic chemistry, mass spectroscopy, quality control, and general chemistry. CrystalMaker Software CrystalMaker Software- Crystal structures visualization and diffraction software for Macintosh. FQS Poland FQS Poland- Reseller of various packages for chemistry, biochemistry, and materials science, including Cache and ChemOffice. CompuChem CompuChem- Software for drawing chemical structures, visualize laboratory experiments, teaching, 3D visualisation of molecules and quantum chemistry. GLARE GLARE- Free software that facilitates and improves the design of chemical combinatorial libraries. It automates the process of reducing vendor chemical lists based on desired prod… Osiris Property Explorer Osiris Property Explorer- Software to calculate various drug-relevant properties of chemical structures. Prediction results are given a value and color coded for such properties a… Karypis Lab: AFGen Karypis Lab: AFGen- Software tools for generating fragment-based descriptors for chemical compounds with applications to similarity search, virtual screening and library design. LigandScout LigandScout- A software tool for PDB interpretation, 3D pharmacophore creation, modeling and visualization.