MTS - Research (Drug Discovery)

What you'll do

• Develop research prototypes and reinforcement learning environments, and evaluate model capabilities on drug discovery tasks.
• Curate scientific data and build evaluations for molecular design, reaction prediction, synthesis planning, structure elucidation, and multiparameter optimization.
• Run experiments with AI researchers and engineers, assess results against experimental evidence, and communicate reproducible findings.

What they ask for

• PhD in chemistry, computational chemistry, cheminformatics, or a related field—or equivalent research experience.
• Deep knowledge of organic and medicinal chemistry, including reactions, synthesis, structure–activity relationships, and drug discovery tradeoffs.
• Strong Python skills and a solid machine learning foundation, with hands-on experience training and evaluating models.
• Scientific judgment and ability to take ambiguous research projects from open questions to concrete results.

Nice to have

• Experience with reinforcement learning, large language models, scientific agents, or chemistry-focused evaluations and benchmarks.
• Experience with drug discovery programs, scientific datasets, chemistry tools or methods, or hands-on synthetic or medicinal chemistry.

Tools

Python, RDKit

AI focus

Research and develop AI capabilities for chemistry and drug discovery, including model training and evaluation, reinforcement learning environments, and scientific data and benchmarks.