COMPUTATIONAL SCIENTIST

Aspire Life Sciences Search; San Francisco (CA); On-site; USD 150,000 - 250,000; Full time

Job summary

Aspire Life Sciences Search is seeking a Computational Scientist specializing in cheminformatics to drive innovative AI solutions in drug discovery. Join a dynamic team focused on improving human health through cutting-edge technology, delivering impactful results in a fast-paced environment. Engage directly with scientific partners, shaping the future of predictive toxicology and molecular modeling.

Benefits

High level of autonomy and impact

Opportunity to work with top experts

Early involvement in a scaling company

Qualifications

• Experience in drug discovery or pharma/biotech R&D.
• Strong programming skills in Python.
• Familiarity with cheminformatics toolkits.

Responsibilities

• Lead experimental and model-driven research in AI applications.
• Help build chemistry models for molecular design decisions.
• Collaborate with a team to advance tools for predictive modeling.

Skills

Communication

Programming in Python

Stakeholder engagement

Education

Advanced degree in computational chemistry, medicinal chemistry, cheminformatics or relevant field

Tools

Cheminformatics toolkits (e.g. RDKit, Datamol)

Data science tools (NumPy, pandas)

Job description

Computational Scientist - Cheminformatics

Computational Scientist - Cheminformatics

This is your chance to work at the intersection of AI and chemistry, solving real-world problems that have a direct impact on human health. If you’re excited by the idea of replacing outdated lab and animal testing methods with powerful predictive tools - and want to be part of a high-impact, fast-growing team - this opportunity is for you.

About the company

The company is an early-stage, well-funded biotech innovator applying large-scale AI to some of the toughest challenges in molecular design. Their proprietary platform is designed to help scientists make better, faster decisions in drug discovery, reducing risk, improving safety profiles, and ultimately helping more treatments reach patients. The environment is fast-paced, intellectually rigorous, and deeply collaborative, bringing together expertise across chemistry, biology, and machine learning.

The role

You will :

• Lead experimental and model-driven research to improve how molecules are represented and interpreted using AI.
• Help build and evolve core chemistry models that guide molecular design decisions.
• Work directly with partners and customers, shaping product features through real-world use.
• Collaborate with a world-class team across disciplines to advance state-of-the-art tools for predictive toxicology and molecular modelling.

What we’re looking for

You might identify as a computational chemist, cheminformatician, or machine learning scientist with :

• An advanced degree or industry experience in a relevant field (computational chemistry, medicinal chemistry, cheminformatics, etc.).
• Experience in or exposure to drug discovery or pharma / biotech R&D.
• Excellent communication and stakeholder engagement skills.
• Strong programming skills in Python and familiarity with cheminformatics toolkits (e.g. RDKit, Datamol), along with comfort in data science tools like NumPy, pandas, and basic cloud environments.
• A passion for applying AI to real scientific problems.

What’s on offer

• Early involvement in a company poised to scale quickly.
• Opportunity to work with exceptional minds across science and tech.
• A product with real impact—replacing traditional models with smarter, faster, more human-relevant alternatives.
• High level of autonomy and the chance to leave your mark on a next-generation biotech platform.

Your consultant

James Trott is Director of Aspire Life Sciences. His expertise lies in building executive teams for biotech and health-tech organisations. With a commitment to integrity, personalised service, and honest dialogue. Connecting top talent with some of the most exciting opportunities in the market. Connect with James .

Seniority level

Seniority level

Not Applicable

Employment type

Employment type

Full-time

Job function

Job function

Research, Analyst, and Information Technology

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Computational Scientist • San Francisco, CA, United States