A user-friendly toolkit offering state-of-the-art functionalities for preparing bioinformatics and cheminformatics components in molecular docking and molecular dynamics simulations. - Zero-code philosophy - Molecular docking (AutoDock Vina & RxDock) - Structure-based drug design workflows - Reproducible computational pipelines Explore Enalos discovery tools
AI-powered cheminformatics and nanoinformatics web services. Access 500+ validated predictive models for drug discovery, materials design, and safety assessment — all from your browser, free of charge. - 500+ predictive models as web services - Drug discovery, materials design, patient stratification - OECD-validated models for regulatory compliance - No installation — runs in any browser - API access for programmatic workflows
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25+ processing modules for the Asclepios analytics platform, covering cheminformatics, bioinformatics, and nanoinformatics. GPU-accelerated for big data, with database access and rapid workflow prototyping. - 25+ cheminformatics & nanoinformatics modules - GPU-accelerated for big data analysis - Database mining & retrieval tools - Predictive model development & validation - Rapid workflow prototyping in Asclepios
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Standalone, platform-independent software that packages any predictive model developed by NovaMechanics into a custom-made solution. Ideal for specific research applications requiring offline, dedicated tooling. - Custom-packaged predictive models - Platform-independent (Windows, macOS, Linux) - Molecular modelling & database access - Data mining & manipulation tools - Tailored to your research needs
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High-throughput Molecular Dynamics screening platform capable of analysing thousands of chemicals efficiently. Combined with NovaMechanics' in-house HPC infrastructure for materials science and drug discovery. - High-throughput MD screening - Thousands of chemicals per run - In-house HPC infrastructure - Materials science & drug discovery - Nanoparticle & membrane simulations
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