Terray Therapeutics · 10 hours ago
Scientist, Computational Chmistry
United States
Full-time
Remote
Mid, Senior Level
$140K/yr - $216K/yr
1+ years expTerray Therapeutics is a venture-backed biotechnology company focused on revolutionizing drug discovery through advanced computational methods. The Scientist in Computational Chemistry will implement and benchmark cutting-edge computational chemistry techniques, contributing to the development of a robust computational pipeline that integrates with machine learning methods to enhance drug design efforts.
Artificial Intelligence (AI)BiopharmaBiotechnologyLife ScienceMedical
Responsibilities
Implement, Validate & Benchmark a suite of computational chemistry methods, including absolute and relative binding free energy calculations (ABFE/RBFE), enhanced sampling molecular dynamics methods, and semi-empirical quantum mechanical methods (SEQM). The role will involve using open-source code libraries OpenMM, OMSF, RDKit, xTB, and custom in-house code libraries written in Python
Develop & Maintain Free Energy Calculation Deployment Code and Database with cloud deployment capable of continuous method calibration across multiple projects that can support multiple users. This will involve utilizing best practices in Python-based workflows, knowledge of cloud-based deployment infrastructure (AWS Batch), and robust database strategies
Apply established methods to active drug discovery projects, analyzing data, interpreting results, and providing actionable insights to guide molecular design and medicinal chemistry efforts
Continuously survey the scientific literature to identify and champion emerging methods and technologies in computational chemistry and AI-driven drug discovery
Qualification
Required
BS/MS/Ph.D. in computational chemistry, theoretical chemistry, chemical physics, biophysics, or a related field
Experience setting up, running, and analyzing molecular dynamics and free energy simulations (e.g., FEP, ABFE, OpenMM) and quantum chemistry methods (xTB)
Proficiency in Python programming for data analysis, workflow automation, tool development, cloud deployment, and databasing methods
A strong understanding of the physical principles underlying molecular interactions, thermodynamics, and kinetics in the context of protein-ligand binding
Excellent problem-solving skills, the ability to work both independently and as part of a collaborative team, and strong attention to detail in both code syntax and simulation setup details
Preferred
1-3 years of experience as a computational chemist in the biopharma industry or a relevant post-doc
Familiarity with cheminformatics toolkits like RDKit, knowledge of containerization technologies (e.g., Docker), experience working in cloud compute environments (AWS Batch, S3)
Experience with Python for database interaction and management (e.g., using Python libraries like psycopg2, sqlite3, or ORMs like SQLAlchemy to interact with SQL databases)
Familiarity with machine learning for drug discovery methods such as protein co-folding models and potency prediction models (Boltz, OpenFold etc)
Benefits
Participation in the Company's option plan
3% retirement safe harbor contribution
Fully-paid medical, dental, vision, life, and disability benefits
Company
Terray Therapeutics
Terray Therapeutics is a biotechnology company that transforms small molecule drug discovery.
51-200 employees
H1B Sponsorship
Terray Therapeutics has a track record of offering H1B sponsorships. Please note that this does not
guarantee sponsorship for this specific role. Below presents additional info for your
reference. (Data Powered by US Department of Labor)
Distribution of Different Job Fields Receiving Sponsorship
Represents job field similar to this job
Trends of Total Sponsorships
2025 (1)
2024 (1)
2022 (1)
Funding
Current Stage
Growth StageTotal Funding
$225MKey Investors
Silicon Valley BankNVenturesMadrona
2025-04-01Debt Financing· $25M
2024-10-17Series B· $120M
2023-11-09Series Unknown
Leadership Team
Eli Berlin
Co-Founder
Narbe Mardirossian
Chief Technology Officer
Recent News
Genetic Engineering News
2025-12-05
2025-11-27
Company data provided by crunchbase