Computational Chemist

Edison Scientific•Boston, MA

4d•$180,000 - $250,000•Onsite

About The Position

Edison Scientific builds and deploys AI scientist agents to accelerate science and the development of new medicines. The Computational Chemist will join the Forward Deployed team, working directly with pharma and biotech partners alongside engineers and computational biologists. The role ensures AI agents produce chemistry that is credible, synthesizable, and useful to drug discovery teams. The position involves building benchmarks, evaluating agent outputs, and collaborating with medicinal chemist partners to identify where AI can add value across design, synthesis, testing, and analysis. This is hands-on, onsite work that includes building relationships with discovery leaders, translating their chemistry thinking into agent behavior, and sharing insights with the AI team to improve the platform's molecular-design reasoning.

Requirements

Ph.D. in Computational Chemistry, Medicinal Chemistry, Organic Chemistry, or a related field.
At least 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.

Nice To Haves

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

Responsibilities

Improve AI agent performance on 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 discovery workflows.
Assess AI-generated outputs for structural soundness, identify failure modes, and determine which outputs are actionable.
Collaborate daily with Forward Deployed Engineers and Computational Biologists on each account.
Support engagement scoping, success metrics, and technical evaluation with go-to-market team members.

Benefits

Competitive salary and equity.
Full healthcare coverage, with 100% of premiums paid for the employee and dependents.
Yearly new parent stipend and fertility coverage through Carrot.
Mental health support through Rula, an in-network therapist and psychiatrist network.
12 weeks of paid parental leave for maternity, paternity, and adoption.
Yearly employer-funded pet care stipend.
Commuter benefits for transit and parking using pre-tax dollars.
401(k) company matching.
$300 quarterly health and wellness benefit.
Lunch on office days and dinner when working late.
Regular team off-sites and company events.