Discover the Next Promising Drug Using Generative AI

Makya is the first user-friendly SaaS platform for AI-driven de novo drug design focused on Multi-Parametric Optimization (MPO). It enables design of novel and easy to make compounds in line with multi-objective blueprint with unprecedented speed, performance, and diversity. 

Makya offers multiple generative algorithms covering different use cases from hit discovery to lead optimization: fine tuning generator to find optimal solutions within your chemical space in line with your project blueprint; novelty generator to find new ideas with high novelty for re-scaffolding/hit discovery; forward generator to design a focused library of compounds easily accessible from commercial starting materials.

KEY Features

Team it Up With Spaya

Concerned regarding the synthetic accessibility of the proposed compounds? Don’t worry! Makya is connected to Spaya, our AI-driven synthetic planning technology. All promising ideas proposed by Makya are scored by Spaya to make sure you will be able to easily synthesize your next target compound

Python API

Do you prefer lines of codes rather than a fancy UI? Makya can be operated in Python and can be easily interfaced within your existing in-house machine learning workflows. We call Makya’s Python UI “PyMakya”.

Cloud Native

Makya is accessible as a SaaS platform running in Iktos’ private infrastructure, it can also easily be deployed in your virtual private cloud (AWS, Google cloud, Microsoft Azure) or on your premises.


Upload your project data

Define your target product profile


Review, assess and select the ideas designed by Makya’s AI engine

Makya automatically proposes new molecules for your small molecule discovery project in a few hours!

In just a few clicks, access the power of AI through our user friendly interface.

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