KNIME Development Partners provide extension to KNIME for Life Sciences, Chemo- and Bioinformatics, but also high performance data analysis and other industry areas. Below you can find a list of the current development partners.
Schrödinger provides accurate, reliable, and high performance computational technology to solve real-world problems in pharmaceutical, biotechnology, and materials science research.
Schrödinger's complete suite of integrated drug discovery software addresses the challenges in pharmaceutical research from lead discovery to lead optimization, and offers state-of-the-art tools for antibody and protein engineering. Schrödinger's Jaguar and MacroModel are venerable general modeling tools that are applicable across all areas of chemical research.
In addition, Schrödinger provides a wide range of consulting services, IT services, and solutions for the life sciences that enable clients to access innovative scientific solutions. Working with our customers and partners, Schrödinger is focused on delivering solutions that enable all scientists in a research group to manage, access, and share all types of pharmaceutically relevant data to facilitate informed decision-making at all levels of research.
Infocom Corporation offers a wide range of IT services and solutions for the life science market in Japan with more than 20 years of experience. INFOCOM's software solutions include Drug Design, ADMET, Data Mining, Statistical Analysis, Proteome, and Genome analysis. For use with the KNIME open source workflow platform, INFOCOM plans to release novel KNIME nodes incorporating INFOCOM's proprietary software and other third party software technologies. In February 2008, INFOCOM released its "JChem Extensions" which empowers researchers to work with chemical structure data using ChemAxon's software tools and the KNIME platform.
CambridgeSoft from PerkinElmer is the global platform delivering software and services for research, discovery, analysis and collaboration in the life sciences and chemical industries, academia and government. The informatics portfolio includes market leading desktop, enterprise and Cloud-based software improving the productivity and decision making of scientists and researchers. Products include ChemBioOffice, ChemBioDraw, E-Notebook, NexxisELN, and Ensemble for knowledge management and informatics; and LABWORKS LIMS, LimsLink, and Nexxis iLab for integrated laboratory systems.
The Tripos Chemistry Extensions (TCE) package complements KNIME's existing capabilities by providing the Life Sciences industry with access to many important cheminformatics tools, including tools that are used to visualize and transform molecular structures, compute molecular properties, and search for functional groups. In addition, many separately licensable SYBYL tools are also made accessible via the TCE package. Tripos provides support not only for the TCE package and the Tripos technologies embedded within, but Tripos also provides support options for the KNIME platform itself.
Tripos, a Certara Company, is a global leader in innovative scientific solutions enabling life science researchers to improve the efficiency of molecular discovery. Established in 1979, Tripos was the first company to bring scientific computational drug discovery capabilities to the pharmaceutical, chemical and food design industries, and today helps a broad range of companies and research facilities accelerate the identification and optimization of new compounds that have the potential to become marketed drugs, foods, flavorings and fragrances. Headquartered in St. Louis, Missouri, Tripos serves more than 1,000 customers spanning over 46 countries.
Pervasive now brings the performance and scalability of Pervasive DataRush to the KNIME platform. Complex workflows created in KNIME can now process much larger data sets in a fraction of the time. With Pervasive DataRush for KNIME, users have access to a library of scalable, high-throughput Pervasive DataRush nodes to tackle big data analysis. Pervasive DataRush leverages the parallel processing power of today’s multicore servers to deliver a high throughput data mining solution that runs on a single server. Pervasive DataRush for KNIME is also fully extensible. The Pervasive DataRush Java SDK allows KNIME users to create their own custom parallel nodes that take advantage of the performance benefits of the underlying Pervasive DataRush engine. Imagine running your models on massive data sets in a fraction of the time.
Pervasive DataRush is a parallel dataflow platform enabling data-intensive applications such as life sciences, bioinformatics, predictive analysis, data mining, fraud detection, risk analysis, and claims processing.
Symyx Technologies, Inc. enables global leaders in life sciences, chemicals and energy, and consumer and industrial products to optimize and accelerate their scientific research and development. Symyx software, tools, and research services enable scientists to design, execute, analyze, and report experimental results faster, easier, and less expensively.
The Symyx Chemistry Extensions enhance KNIME's open-source, no-fee data pipelining software with Symyx's high-value, industry-leading chemistry capabilities. This enables R&D organizations to deliver low-cost, agile chemistry extensions and services supporting scientific workflows.
ChemAxon is a leader in providing chemical software development platforms for the biotechnology and pharmaceutical industries. By focusing upon active interaction with users and core portability, ChemAxon creates leading edge cross platform solutions to power modern cheminformatics and chemical communication. We keep adopting new technologies as a response to the changing requirements of the market. Decisions about technology and features are based on user feedback. This market driven attitude has provided continuous growth and stability to the company.
The BioSolveIT KNIME components, cover a wide range of ligand-based, structure-based and fragment-based drug discovery software solutions. Their integration in KNIME-workflows has proven to be seamless. From docking&scoring over alignment&similarity searching to mining huge combinatorial chemistry spaces, world-class software tools have been made available for the users of KNIME. The BioSolveIT-KNIME package covers also a number of utility modules that come in handy when you prepare your data or analyze your results.
BioSolveIT is a leading provider of drug discovery software solutions. Its core business are software, services, and research collaborations. With three founders in academia, BioSolveIT has its backbone in research and catalyzes the genesis of products off of basic research successes. Its world-class software technology is known for aggressively easy-to-use GUIs. BioSolveIT is synonym for team-building as well as cutting-edge technology.
Chemical Computing Group (CCG) is producer and supplier of the Molecular Operating Environment (MOE) software for drug discovery, and PSILO for protein-ligand structure databasing and access. Applications provided within MOE range from protein structure modelling, through structure-based drug design (including pharmacophore derivation and search) and small molecule modelling, to cheminformatics applications such as QSAR, diversity and similarity measures, library design and focusing. Source code for MOE applications is provided to MOE users, meaning that applications can be customised to meet specific requirements, novel applications constructed, and new ideas tried out and deployed quickly and efficiently, either by MOE users themselves, or by and with the help of CCG’s support staff.
Treweren Consultants is a small specialist software company that focuses on innovative drug discovery capabilities mainly using pharmacophore technology which has been widely used in Internet distributed computing projects. Its THINK software has been integrated into KNIME enabling easy creation and use of workflows for de novo derivative generation, structure-based virtual screening (docking) and searching for novel actives using pharmacophores with volume constraints.
Molecular Discovery Ltd. is run by Professor Gabriele Cruciani, and is widely recognized as the scientific leader in applying Molecular Interaction Fields and Chemometrics to pharmaceutical discovery. Molecular Interaction Fields from Molecular Discovery's GRID software were the first example of successfully applying rational design to drug discovery. Application of GRID Molecular Interaction Fields has been expanded to many areas of discovery, and Molecular Discovery is making several of these products available on the KNIME platform. These include automatic pKa modeling and prediction with MoKa, structure and ligand-based scaffold-hopping with SHOP, pharmacokinetic property optimization with VolSurf+, and also metabolic stability optimization and metabolite prediction with MetaSite. Molecular Discovery software is used by hundreds of scientists all over the world and is available for Windows and Linux systems. Please contact sales[at]moldiscovery[dot]com for more information.
Cresset is a leading provider of computational software tools and consulting services to the life sciences and biotechnology markets. Our primary focus is the comparison of molecular structures and the elucidation of molecular interactions; these are achieved using our unique molecular Field Point technology. Field Points are based on the most likely areas of interaction between e.g. a drug molecule and a target protein: their use enables us to provide detailed analysis of structure-activity relationships as well as very high throughput assessment of likely active molecules via our ligand-based virtual screening platform, FieldScreen.
In drug discovery one of the key advantages of the Field Point approach is that structurally dissimilar molecules can be shown to have very similar molecular fields; we make use of this in our FieldStere product, which enables users to generate novel structures from an existing starting point. The Cresset technologies are all readily accessible through KNIME workflow nodes
Whether you are looking for the latest in enterprise query tools, a smarter way to manage your scientific documents, an intuitive chemical or biologics registration system, better chemical structure searching or an efficient way to capture all your scientific data, Dotmatics has a solution. Dotmatics is a dynamic scientific software provider dedicated to enabling researchers in the Biotechnology and Pharmaceutical arenas. The Dotmatics suite increases research efficiency during drug discovery by providing integrated software from registration to reporting through data querying, data visualization and assay management. The web-based deployment of the suite significantly reduces IT overhead whilst providing unrivalled flexibility through its simple cross-platform user interface.
Osthus provides a holistic approach to enterprise IT solutions with consulting expertise, solution development and system integration. With our focus on R&D environments, our experts in research processes and a selected R&D partner portfolio we offer unique support for the business needs of the life sciences and chemical industry. Using the full range of our consulting and implementation skills combined with our competencies in business process modelling, architecture, design, system integration and software development, we facilitate complete business solutions. We support our customers with their first-to-market strategy. By combining research process know-how, ability to look beyond existing environments and the intelligent use of information technology, we enable our customers to generate new knowledge fast. Osthus technology professionals are certified in but not limited to Microsoft, Accelrys, Documentum and Oracle platforms. With extensive software alliances we provide your company with the latest application technology.
has specific expertise in chemometrics, QSAR, molecular descriptors, experimental design and multicriteria decision making. Talete offers scientific consultancy and develops scientific software.
Talete produces Dragon, one of the best known application for the calculation of molecular descriptors. Latest version 6.0 can work both as graphical and command-line interface, and calculates 4885 descriptors. Other products include dProperties, an easy-to-use application for the calculation of physicochemical properties and drug-like indices.
Korilog is a bioinformatics company providing Life Science research community with innovative software and I.T. solutions to facilitate the use of heterogeneous biological information systems. Company's software solutions and services closely associate human-computer interfaces, bioinformatics analysis methods and biological databanks.
Main company product, Koriblast, is a powerful and user-friendly graphical software designed for large scale exploration of biological sequence databanks and related information (functional, taxonomy, pathways, mutations, etc). KoriBlast can be used for a wide range of applications in genomics and proteomics, such as full genome & proteome comparisons, microarray reannotation, taxonomy & phylogenetic analyses, and functional & structural studies of proteins. Regarding metagenomics, KoriBlast offers tools to explore taxonomic and functional diversity of samples.
Molegro is a Danish cheminformatics company specialized in drug discovery software for industrial and academic users. Molegro Virtual Docker provides molecular docking and virtual screening functionality, and Molegro Data Modeller provides classification and regression analysis combined with advanced visualization techniques.