Applied AI Scientist – Cheminformatics

We are seeking a highly skilled Applied AI Scientist

with expertise in cheminformatics and molecular modeling to support

a cutting-edge initiative focused on generative AI in chemistry.

This role will contribute to accelerating molecular design and

improving R&D efficiency by leveraging advanced machine

learning and computational techniques. You will work at the

intersection of AI and chemistry, building scalable models to

generate, evaluate, and optimize novel molecular structures. This

is a hands-on role where you will translate research concepts into

practical, production-ready solutions that support drug discovery

and sequencing platforms. Design and implement generative AI models

for novel molecule generation and optimization Build predictive

models to evaluate molecular properties and performance Develop

pipelines for computer-aided synthesis planning (CASP) and reaction

feasibility Apply advanced ML techniques (e.g., few-shot learning,

fine-tuning) on large-scale molecular datasets Integrate public and

proprietary datasets to improve model performance Collaborate with

chemists and cross-functional teams to translate experimental needs

into AI-driven solutions Write clean, scalable, and

production-ready Python code using ML and cheminformatics

libraries

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