Data Scientist Cheminformatics and Computational

Drive AI-augmented drug discovery and development by building and validating cheminformatics and computational chemistry models for cancer therapeutics research.

Responsibilities

• Apply generative models to propose chemical matter for targets of interest.
• Develop novel methods in coordination with senior scientists.
• Develop QSAR/QSPR models using public and internal data.
• Rationalize toxicity patterns to support cancer therapeutics discovery.
• Propose chemical matter and drug-target interactions to advance discovery efforts.
• Document work thoroughly.
• Produce research output for scientific publications and contribute to manuscript development.
• Present results at multidisciplinary project meetings and external meetings.
• Attend collaborator meetings and team working group meetings.
• Prioritize and manage multiple projects in a timely, resource-effective manner.
• Stay up to date with relevant literature, gather information systematically, and confer with the supervisor regarding new procedures.

Requirements

• At least an MSc in Chemistry, Biochemistry, Computer Science, or a related field.
• Expertise and comfort with large datasets, plus a willingness to learn new approaches.
• Scientific computing skills using Python in a Unix environment, including GPU computing.
• Proficiency in generative AI for molecular generation.
• Proficiency with PyTorch, rdkit, and other machine/deep learning utilities for cheminformatics.
• Familiarity with programmatic access to public databases such as ChEMBL.
• Experience using molecular visualization tools, such as PyMol and VMD.
• Familiarity with basic statistical testing.
• Proficiency in AI/ML-based computational chemistry and cheminformatics is required.

Technologies

• AI/ML
• Machine learning
• Deep learning
• Python
• Unix
• GPU computing
• Generative AI
• PyTorch
• rdkit
• ChEMBL
• PyMol
• VMD

Education

• Required: Bachelor’s degree in Biomedical Engineering, Electrical Engineering, Computer Engineering, Physics, Applied Mathematics, Science, Engineering, Computer Science, Statistics, Computational Biology, or a related field.
• Preferred: Master’s degree in Science, Engineering, or related field; PhD in Science, Engineering, or related field.

Experience

• Required: Three years of scientific software or industry development/analysis experience.
• With a Master’s degree: one year experience.
• With a PhD: no experience required.
• Preferred: Computational Chemist.

Compensation

• USD 106,500 - 159,500 per year
• Minimum salary: USD 106,500
• Midpoint salary: USD 133,000
• Maximum salary: USD 159,500
• FLSA: exempt; not eligible for overtime pay

Benefits

• Employer-paid medical coverage starting day one for employees working 30+ hours/week; optional group dental, vision, life, AD&D, and disability insurance.
• PTO and Extended Illness Bank accruals, plus paid holidays, wellness, childcare, and other leave options.
• Tuition Assistance Program after six months of service; access to wellness, fitness, and employee resource groups.
• Defined-benefit pension through the Teachers Retirement System; voluntary retirement plans; employer-paid life and reduced salary protection programs.

Job Details

• Employment status: Full-Time
• Employee status: Regular
• Work week: Days
• Work location: Hybrid (Onsite/Remote)
• Location: Houston, TX
• Fund type: Soft
• Pivotal position: Yes
• Referral bonus available: Yes
• Relocation assistance available: Yes
• Requisition ID: 182871