PhD Intern, Cheminformatics & Computational Chemistry
About The Position
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.
Requirements
- 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
Nice To Haves
- Interest in working with large chemical datasets and databases
- Basic familiarity with relational databases
- Experience or interest in collaborating across computational and experimental disciplines
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
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What This Job Offers
Career Level
Intern
Education Level
Ph.D. or professional degree
Number of Employees
101-250 employees
