AI/ML Engineer

Data Revival; Southampton; On-site; GBP 40,000 - 60,000; Full time

Job summary

A tech company specializing in AI-driven chemistry solutions is seeking an AI/ML Engineer. This role involves designing innovative machine learning architectures, developing data pipelines, and working closely with the R&D team to advance scientific discovery. Candidates should possess proficiency in Python, experience with deep learning frameworks like PyTorch, and a solid theoretical understanding of machine learning principles. This position offers a competitive salary and a collaborative work environment focused on impactful research.

Benefits

Competitive salary

Comprehensive benefits package

Professional growth opportunities

Qualifications

• Proficient in Python and core data science libraries.
• Experience with modern deep learning frameworks is essential.
• Deep understanding of machine learning principles is required.

Responsibilities

• Research and design novel machine learning architectures.
• Develop and maintain data pipelines for chemical datasets.
• Train and benchmark models for performance evaluation.

Skills

Proficiency in Python

Hands-on experience with deep learning frameworks

Strong theoretical understanding of machine learning

Knowledge of LLMs and VLMs

Experience with full model development lifecycle

Education

Degree in Computer Science or related field

Tools

PyTorch

Docker

Kubernetes

Job description

About Data Revival

We are on a mission to liberate scientific data. At Data Revival, we bridge the gap between complex chemical knowledge and modern machine learning/AI. By building advanced AI tools, we turn static, vast chemical knowledge bases into accessible, searchable, and actionable insights for researchers pushing the boundaries of science.

Role Overview

We are looking for an AI/ML Engineer who is ready to tackle one of the hardest problems in science: teaching machines to understand chemistry. In this role, you won’t just be tuning hyperparameters; you will own the architecture that extracts structure from chaos. You will work right at the core of our R&D team, taking novel models from a whiteboard concept to a production-ready tool that empowers scientists to discover new drugs and engineer next-generation materials. If you crave ownership and want to build technology that actually accelerates scientific discovery, this is your home.

Key Responsibilities

• Research, design, and implement novel machine learning architectures tailored for chemical and molecular data.
• Develop and maintain robust data pipelines for processing, augmenting, and featurising large scale chemical datasets.
• Train, validate, and benchmark models to ensure they meet performance and accuracy requirements.
• Stay current with state of the art research in machine learning, computational chemistry, and bioinformatics.

Required Skills & Experience

• Proficiency in Python and the core data science ecosystem (e.g., Pandas, NumPy, Scikit-learn).
• Hands on experience with a modern deep learning framework, preferably PyTorch.
• Strong theoretical understanding of machine learning principles, including deep learning and classical statistical models.
• Knowledge of the inner workings of LLMs and VLMs, the ability to gut them and work with them past just surface-level functionality.
• Experience with the full model development lifecycle, from data preprocessing and feature engineering to model validation.
• Degree in Computer Science, Machine Learning, Computational Chemistry, or equivalent industry experience.

Nice To Haves

• Prior experience in computational chemistry, bioinformatics, or cheminformatics.
• Experience with MLOps tools and practices for model serving and monitoring.
• Knowledge of tools like RDKit or other chemistry specific data toolkits.
• Familiarity with containerisation of services (Docker/Kubernetes).
• Publications in relevant ML or scientific journals.

What We Offer

• Competitive salary and a comprehensive benefits package.
• The opportunity to work on cutting edge research problems at the intersection of AI and chemistry.
• A key role in a small, collaborative team with direct impact on clients and product direction.
• Support for professional growth and continuous learning.