Computational Chemist

Openkrill; United States; Remote; USD 180,000 - 250,000; Full time

Benefits offered by this job

Equity

Healthcare coverage

Parental leave

Mental health support

401(k) matching

Lunch in office

Team offsites

Job summary

Edison Scientific is seeking a Computational Chemist to join our Forward Deployed team, embedded directly with pharma and biotech partners alongside engineers and computational biologists. Your job is to ensure AI-generated chemistry is credible, synthesizable, and useful to real drug discovery teams.

You’ll build benchmarks, evaluate agent outputs, and work with medicinal chemists to find where AI creates value in design, synthesis, testing, and analysis cycles. This is onsite and collaborative.

Qualifications

• Ph.D. in a relevant chemistry field and 5+ years in industry
• Experience in lead optimization campaigns from hit identification to nomination
• Ability to collaborate with medicinal chemists and AI engineers

Responsibilities

• Improve AI agent performance for hit-to-lead tasks in chemistry
• Design benchmarks and acceptance criteria for chemistry-focused workflows
• Partner with client chemists to integrate AI agents into discovery processes
• Assess chemistry outputs for structural soundness and actionable insights
• Collaborate with engineers and computational biologists daily
• Support scoping, metrics, and evaluation with GTM teams

Skills

Python

Adaptability

Travel readiness

Education

Ph.D. in Computational/Medicinal/Organic Chemistry

Tools

RDKit

Schrödinger

MOE

Job description

ABOUT US

Edison Scientific builds and deploys AI scientist agents to accelerate science and the development of new medicines. We are an ambitious team run by scientists and engineers from leading institutions across biology, physics, chemistry, and AI.

ABOUT THE ROLE

We're looking for a Computational Chemist to join our Forward Deployed team, embedded directly with pharma and biotech partners alongside our engineers and computational biologists. Your job: make sure our AI agents produce chemistry that's credible, synthesizable, and useful to real drug discovery teams.

You’ll build benchmarks, evaluate agent outputs, and work with our medicinal chemist partners, to find where AI creates the most value in their design, synthesis, testing, and analysis cycles.

This is onsite, hands-on work. You’ll build relationships with discovery leaders, translate their chemistry thinking into agent behavior, and feed insights back to our AI team to improve how our platform reasons about molecular design.

KEY RESPONSIBILITIES

• Improve AI agent performance to hit-to-lead chemistry tasks including SAR analysis, structure-based design, and synthetic feasibility analysis
• Design benchmarks and acceptance criteria for chemistry focused agent workflows
• Partner with medicinal chemists at client organizations to integrate AI agents into their discovery workflows
• Serve as the chemistry expert on AI generated outputs, assessing structural soundness, flagging failure modes, and determining what's actionable
• Collaborate daily with Forward Deployed Engineers and Computational Biologists on each account
• Support engagement scoping, success metrics, and technical evaluation with our go-to-market team members

REQUIRED QUALIFICATIONS

• Ph.D. in Computational Chemistry, Medicinal Chemistry, Organic Chemistry, or a related field and 5+ years of industry experience, ideally within a pharma or biotech sponsor organization
• Track record in lead optimization campaigns from hit identification through candidate nomination
• Deep knowledge of cheminformatics tools such as RDKit, Schrödinger, or MOE
• Experience integrating ADMET and DMPK data into design decisions
• Ability to travel domestically 20-40% of the time

PREFERRED QUALIFICATIONS

• Proficiency in Python
• Experience working across multiple therapeutic areas
• High comfort with ambiguity and fast iteration

SALARY

$180K – $250K Offers Equity

WHY JOIN US?

• Competitive salary and equity
• Full healthcare coverage; we pay 100% of premiums for you and your dependents
• Support for growing families, including a yearly new parent stipend and fertility coverage through Carrot
• Mental health support through Rula, our in-network therapist and psychiatrist network with fast availability
• 12 weeks of paid parental leave for maternity, paternity, and adoption
• Pet care support with a yearly employer-funded stipend for your animal companions
• Commuter benefits so you can pay for transit and parking with pre-tax dollars
• 401(k) company matching
• $300 health and wellness benefit quarterly
• Lunch is on us every day you're in the office, and dinner is on us when you're working late
• Regular team off-sites and company events

Edison Scientific is an equal opportunity employer. We do not discriminate on the basis of race, color, religion, sex, sexual orientation, gender identity, national origin, age, disability, veteran status, or any other protected characteristic under applicable law.