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Quantum accuracy. GPU speed. Zero hassle.

JOIN THE AI  SIMULATION FRONTIER

Services

Traditional molecular-simulation pipelines are crippled by convoluted software installs, force-field guesswork, and limited availability of HPC resources, wasting months of research time. Our cloud platform removes that friction: upload a structure, pick an accuracy tier powered by the latest ML force fields, and receive quantum-level results in hours from top-of-the-line GPU hardware.

Materials & Composites for Chemical Industry

Our rapid ML-accelerated property predictions cut iterative lab cycles for candidate structures and bring new polymer coatings, batteries, and composites to market sooner.

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High-Throughput Screening for AI Biotech

Improved hit-rate and decreased wet-lab expenditure thanks to our parallel simulations of bio and small molecules launched in a single API call, so allowing only the top in-silico candidates reach the bench.

Production-quality simulations from a browser—no system admin help, no queue scripts. Results arrive overnight, so papers and discoveries move forward instead of waiting for cluster slots.

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Faster Innovation in Research

OUR ADVANTAGES

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Secure compliant access

The data is encrypted end-to-end and housed in EU-based, ISO-27001 facilities, with role-based access control, detailed audit logs, and optional SSO integration for institutional sign-ons. For IP-sensitive projects, customers can choose a single-tenant cloud or on-premise runs, ensuring that confidential molecules never leave their firewall and that GxP or GDPR rules are effortlessly met.

Lightning-Fast Turnaround

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On-demand pools of top-of-the-line GPUs replace traditional cluster queues, launching jobs within seconds and returning quantum-level results in hours instead of weeks. A live progress bar, cost estimator, and ETA counter keep users informed to the euro and the minute, while smart scheduling packs short jobs onto idle GPUs to squeeze every drop of performance.

User-Friendly Interface

A clean, browser-based wizard walks users through a simple procedure from structure upload to the “Run” button in less than a minute, with automatic validation that flags missing atoms, wrong units, or broken topologies. Default presets make the platform approachable for newcomers, while advanced panels keep power users fully in control—no command lines, license servers, or IT tickets required.

Curated ML Force Fields

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The platform ships with a vetted library of state-of-the-art models, each benchmarked regularly against public and proprietary datasets. Built-in chemistry detection recommends the optimal force field for any upload and warns when a system is out of scope. Version pinning guarantees that a study run today can be reproduced identically next year.

Fully Integrated Workflow

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Everything—structure preparation, job submission, real-time monitoring, interactive 3-D visualisation, and PDF report generation—lives in a single portal. Results download as trajectories, CSV/JSON summaries, and publication-ready figures, while a REST/GraphQL API duplicates every button in code form so high-throughput screening loops can run unattended.

Ever Evolving Technology

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A continuous-integration pipeline runs regular regression and performance tests, automatically rolling out stable improvements. When users contribute high-quality data, an active-learning engine can retrain select force fields, pushing accuracy forward without manual upgrades. Quarterly feature drops add new ensembles, analyses, and GPU architectures, so the platform stays at the scientific frontier without disrupting your workflow.

Our Team

Our team combines deep academic expertise in molecular simulation and machine-learning with hands-on experience building and scaling GPU-powered cloud services. The group blends scientists who have published on state-of-the-art force fields with engineers who have already turned complex AI models into reliable, user-friendly products. Together we cover the full spectrum—from fundamental theory to production-grade software—giving us the skills and credibility needed to deliver a platform that is both scientifically rigorous and industrially robust.

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MSc. Mirela Puleva

Chief Scientific Officer (CSO)

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MSc. Ian Sosa

Chief Executive Officer (CEO)

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MSc. Julian Neñer

Chief Technical Officer (CTO)

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Dr. Igor Poltavsky

Team Leader on Machine Learning

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Prof. Dr. Alexandre Tkatchenko

Head of the TCP Group. Key Advisor.

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