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Director Computational Chemistry Jobs (NOW HIRING)

Takeda

Senior Director, AIRx Medicinal Chemistry

Boston, MA · On-site +1

$212K - $333K/yr

Senior Director, AIRx Medicinal Chemistry Takeda Research is constructing the Discovery Automation ... Partner closely with Computational Chemistry colleagues to close DMTA cycles rapidly; contribute to ...

Takeda

Director, AIRx Medicinal Chemistry

Boston, MA · On-site +1

$177K - $278K/yr

Director, AIRx Medicinal Chemistry Takeda Research is constructing the Discovery Automation ... Partner closely with Computational Chemistry colleagues to close DMTA cycles rapidly; contribute to ...

Chemify Ltd

Staff CADD Scientist

San Francisco, CA · On-site +1

Chemify is revolutionising chemistry. We are creating a future where the synthesis of previously ... This gives our computational scientists something rare: a direct, high-throughput bridge from in ...

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Director Computational Chemistry information

What does a director of computational chemistry do?

A Director of Computational Chemistry leads teams that use computer modeling and simulation to support drug discovery and development. They oversee the development and application of computational methods, such as molecular modeling, cheminformatics, and machine learning, to predict how molecules behave and interact. This role involves collaborating closely with experimental chemists and biologists, managing research projects, and ensuring that computational approaches align with organizational goals. Additionally, they are often responsible for evaluating new technologies and guiding the scientific direction of the computational chemistry department.

What are the key skills and qualifications needed to thrive as a director of computational chemistry, and why are they important?

To thrive as a Director of Computational Chemistry, you need an advanced degree in chemistry or a related field, extensive experience in computational modeling, and a strong background in drug discovery or materials science. Familiarity with molecular modeling software (e.g., Schrödinger, MOE), programming languages (such as Python or C++), and high-performance computing systems is typically required. Strong leadership, communication, and project management skills enable effective team coordination and cross-functional collaboration. These competencies are crucial for driving innovative research, optimizing workflows, and delivering impactful scientific results in a competitive environment.

How does a director of computational chemistry typically collaborate with other departments within a pharmaceutical or biotech company?

A Director of Computational Chemistry frequently collaborates with departments such as medicinal chemistry, biology, and data science to drive drug discovery projects forward. They lead cross-functional teams, design computational strategies to complement experimental work, and communicate findings to both technical and non-technical stakeholders. This role often involves aligning computational efforts with project goals, troubleshooting interdisciplinary challenges, and ensuring that computational insights are integrated into decision-making processes.
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Director Computational Chemistry jobs near you
Infographic showing various Director Computational Chemistry job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 85% Full Time, 12% Part Time, 1% Temporary, and 1% Contract. Highlights an 92% Physical, 3% Hybrid, and 5% Remote job distribution.

Associate Director, Computational Biology - Early Discovery

Recursion

Salt Lake City, UT

$200K - $220K/yr

Full-time

Re-posted 12 days ago

Job description

The Impact You'll Make

As an Associate Director within Recursion's early discovery team, you will be at the forefront of reimagining drug discovery from first principles. You will lead a team of world-class computational biologists focused on identifying and advancing the next generation of oncology targets and therapeutics to fill our internal pipeline. You will act as a "player-coach," balancing direct technical contribution with the mentorship and strategic leadership of a high-performing team. Your mission is to integrate Recursion's massive datasets-phenomics, transcriptomics, genomics, proteomics-to nominate novel targets, validate disease biology, and define the precision oncology strategies to advance our most promising therapeutic targets into full-fledged drug discovery programs.

This is a highly collaborative role: you will partner with biologists, data scientists, platform and data engineers, and translational experts to develop and scale methods for target discovery in oncology and immunological diseases. The ideal candidate has strong stakeholder management, technical communication, and 3+ years biotech or pharma experience in early drug discovery. 

In this role, you will:

  • Drive Target Discovery: Evaluate the molecular evidence for target nomination and validation, leveraging Recursion's platform to identify novel vulnerabilities in disease biology
  • Lead and mentor a team of data scientists and computational biologists, fostering a culture of scientific rigor, bold experimentation, delivery, and continuous professional growth. 
  • Pilot novel methods for target discovery, disease biology validation, and early patient population hypotheses to send programs into nomination cascades
  • Define internal criteria for target data packages and early patient population strategy
  • Connect your team's innovative analysis methods to platform and engineering teams so that we solve the current project and accelerate future ones
  • Collaborate cross-functionally: Partner with biologists, medicinal chemists, translational, and clinical leads to build compelling data packages that drive program milestones and portfolio investment decisions. 
  • Present data analysis to external decision makers and stakeholders in a clear and compelling way that drives toward getting medicines to patients.

The Team You'll Join 

Our group is a bold, agile, diverse collective of computational drug discovery scientists deeply focused on the singular goal of bringing new therapeutics into the clinic at an accelerated pace. Our expertise spans precision oncology, I&I (immunology and inflammation), and neuroscience and we focus on advancing novel, targeted therapies for these disease areas. We partner closely with other functions to design and execute impactful and decisional data analyses for new targets and drug programs and are responsible for data strategy across the portfolio. 

The Experience You'll Need

  • PhD in a relevant field (computational biology, bioinformatics, cancer biology, immuno-oncology, etc.) with a very strong computational focus and 3+ years of experience in biotech or pharma industry OR MS in a relevant field and 5+ years of experience in biotech or pharma industry solving fundamental problems in early drug discovery
  • Domain expertise in oncology or immunological diseases
  • Strong understanding of patient genetics and druggability of disease relevant pathways
  • Experience applying computational methods (including probabilistic, statistical, and/or machine learning techniques) to analyze and integrate complex biological and/or human clinical data in a high level programming language such as Python or R
  • Exceptional data visualization skills
  • A track record of managing and developing direct reports within a scientific or technical environment
  • Excellent cross-functional communication skills, including an ability to explain complex scientific concepts to a variety of audiences using a combination of plots, documents, and presentations

Nice To Have:

  • Experience building a target discovery engine in oncology or immunological diseases
  • Experience designing high-throughput screens with CRISPR or small molecule perturbations to validate therapeutic hypotheses
  • Previous exposure to translational and/or clinical development programs to guide selection of relevant models for target validation experiments

Working Location & Compensation:

This is an office-based, hybrid position at our US headquarters located in Salt Lake City, Utah. Employees are expected to work in the office at least 50% of the time.

At Recursion, we believe that every employee should be compensated fairly. Based on the skills, experience, and qualifications needed for this role, the estimated annual base salary range is: $200,000-$220,500. In addition to base salary, this role is eligible for an annual bonus, equity compensation, and a comprehensive benefits package.

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