Company Overview: Terray Therapeutics is a venture-backed biotechnology company led by pioneers and long-time leaders in artificial intelligence, synthetic chemistry, automation, and nanotechnology. We’re generating chemical data purpose-built to propel drug discovery into the information age — and we’re doing it on a larger scale and faster than has ever before been possible.

Our closed loop system generates precise chemical datasets at unrivaled scale that work seamlessly with AI to systematically map biochemical interactions between small molecules and causes of disease. Iterative cycles of virtual molecular design and experimentation power AI and machine learning models, which in turn guide the next cycle of design. With a chemistry engine that measures billions of interactions daily and becomes increasingly precise with every cycle, we can answer an unprecedented array of questions — deriving insights that enable us to predictably create drugs for patients in need.

Position Summary: Terray Therapeutics is seeking a highly motivated PhD Intern to join the Cheminformatics team within Molecular Design, part of the Computational & Data Sciences (CDS) group. This internship is ideal for PhD students in their 3rd or 4th year with an interest in cheminformatics, computational chemistry, and reaction modelling.

In this role, you will work closely with computational chemists, data scientists, and experimental chemists to develop and apply computational tools that support reaction modeling, data analysis, and large-scale chemical data workflows. This is a hands-on role with a direct impact on ongoing drug discovery efforts.

Key Responsibilities

• Apply cheminformatics and computational chemistry tools to model chemical reactivity

• Perform conformational searches, geometry optimizations, and molecular property calculations

• Build scalable workflows to evaluate the scope of chemical reactions

• Communicate insights clearly to interdisciplinary teams

Experience and Qualifications: Part of Terray’s success is nurtured by a hands-on work environment where everyone is accountable, vested in a vision of excellence, and actively taking part in the success of the business. Terray supports a positive work environment where employees can feel engaged, recognized and empowered to be creative.

Required Qualifications:

• Currently enrolled in a PhD program (ideally in your 3rd or 4th year) in computational chemistry, cheminformatics, data chemistry, or a related field

• Experience programming in Python for scientific or data analysis tasks

• Familiarity with cheminformatics tools, especially RDKit

• Strong understanding of chemical reactivity and reaction modeling concepts

• Experience performing conformational searches, geometry optimizations, or molecular property calculations

• Exposure to semi-empirical or quantum-mechanical methods (e.g., xTB or similar tools)

• Familiarity with Git for version control

• Strong written and verbal communication skills, with an interest in working across different scientific backgrounds

Preferred Qualifications:

• Interest in working with large chemical datasets and databases
• Basic familiarity with relational databases

• Experience or interest in collaborating across computational and experimental disciplines

Compensation Details: $40-$44 per hour depending on knowledge and experience. This position is not eligible for company sponsored benefits.