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Data-Driven Science,
Built by Scientists

NovaMechanics is a pioneering SME at the intersection of cheminformatics, nanoinformatics, AI, computational modelling, and Safe and Sustainable by Design (SSbD) innovation — accelerating drug discovery and materials innovation since 2009.

20+
Years of Expertise
50+
R&D Projects
500+
AI Models Deployed
100+
Research Publications

Bridging Computation and Discovery

NovaMechanics Ltd applies state-of-the-art mathematical techniques for the creation, implementation, and interpretation of validated predictive models — spanning big data analysis, personalized medicine, clinical trials, computer-aided drug discovery, materials science, and Safe and Sustainable by Design (SSbD) innovation.

Our goal is to increase profitability, decrease risk, and reduce experimental cost in the process of designing and producing new materials or drugs by conceiving new modelling ideas and performing simulations, testing, and validation procedures.

With headquarters in Nicosia, Cyprus and operations in Athens, Greece, we develop cutting-edge software tools, predictive models, and cloud-based platforms that transform how researchers approach scientific challenges.

Mission & Vision

Democratizing advanced analytics and accelerating scientific innovation for researchers and organizations worldwide.

Our Mission

Bridge the gap between disease targets and optimal drug candidates with significantly lower costs and increased potential. Make cutting-edge AI, machine learning, and predictive modelling accessible to everyone.

Our Vision

A world where computational methods and AI empower every scientist to make better, faster, and safer decisions — from molecular design to clinical application, from materials discovery to regulatory compliance.

Our Approach

Created by scientists, for scientists. We combine deep domain expertise in chemistry, biology, and materials science with state-of-the-art AI and software engineering to deliver solutions that support Safe and Sustainable by Design (SSbD) innovation and work the way researchers do.

Leadership Team

A multidisciplinary team of PhD scientists, researchers, and engineers pushing the boundaries of computational science.

AA

Antreas Afantitis

managing director / head of machine learning & ai
AT

Andreas Tsoumanis

managing director (gr) / head of it
TP

Tassos Papadiamantis

head of data, ai ethics & fairification
KP

Kostas Papavasileiou

head of drug discovery / cheminformatics
PK

Panagiotis Kolokathis

head of materials informatics
DM

Dimitris Mintis

head of operations (cy)
DZ

Danae Zareifi

head of bioinformatics
HT

Haralampos Tzoupis

team leader - molecular simulations