Senior Python Engineer (Cheminformatics / Drug Discovery)

EPAM Systems; Turkey; On-site; TRY 4,373,000 - 6,803,000; Full time

Benefits offered by this job

Continuous upskilling

Extra leave days

Referral bonuses

Competitive USD salary

Private health insurance

IT equipment

Job summary

EPAM Systems in Turkey seeks a Senior Python Engineer with Cheminformatics and Computational Chemistry expertise to advance drug discovery software. You will join our Life Sciences practice and build scalable tools that empower researchers worldwide.

Responsibilities include designing software for chemical data analysis, pipelines for molecular data, QSAR/SAR modeling, and integration with ChEMBL/PubChem. Proficiency in Python and RDKit is required; knowledge of ML in scientific contexts

Qualifications

• Strong Python development experience.
• Proven experience in Cheminformatics, Computational Chemistry, or Drug Discovery.
• Experience with QSAR/SAR models, virtual screening, or molecular modeling.
• Understanding of chemical structure representation and similarity search.
• Experience with chemical databases (e.g., ChEMBL, PubChem).
• Solid knowledge of data analysis and statistical modeling.
• Experience applying Machine Learning techniques in scientific contexts.
• Familiarity with cheminformatics tools such as RDKit.

Responsibilities

• Design and develop software solutions for drug discovery and chemical data analysis.
• Build and maintain computational pipelines for processing molecular and experimental data.
• Implement algorithms for virtual screening, QSAR/SAR modeling, and molecular descriptor calculation.
• Work with chemical structure representations (SMILES, molecular graphs, fingerprints).
• Integrate and analyze data from chemical databases such as ChEMBL and PubChem.
• Apply machine learning techniques to chemical and biological datasets.
• Collaborate with scientists, researchers, and cross-functional engineering teams.
• Ensure code quality, scalability, and reproducibility of computational workflows.

Skills

Python development

Cheminformatics

Computational chemistry

Drug discovery

QSAR/SAR modeling

Machine learning in science

Data analysis

RDKit

Tools

RDKit

Job description

EPAM is seeking a highly skilled Senior Python Engineer with expertise in Cheminformatics and Computational Chemistry to join our Life Sciences practice.

In this role, you will contribute to the development of advanced software solutions supporting drug discovery and pharmaceutical research. You will work at the intersection of chemistry, data science, and machine learning, building scalable computational tools used by scientists and researchers worldwide.

This position requires strong technical engineering skills combined with deep domain understanding in chemistry or related scientific disciplines.

Responsibilities

• Design and develop software solutions for drug discovery and chemical data analysis
• Build and maintain computational pipelines for processing molecular and experimental data
• Implement algorithms for virtual screening, QSAR/SAR modeling, and molecular descriptor calculation
• Work with chemical structure representations (SMILES, molecular graphs, fingerprints)
• Integrate and analyze data from chemical databases such as ChEMBL and PubChem
• Apply machine learning techniques to chemical and biological datasets
• Collaborate with scientists, researchers, and cross-functional engineering teams
• Ensure code quality, scalability, and reproducibility of computational workflows

Requirements

• Strong Python development experience
• Proven experience in Cheminformatics, Computational Chemistry, or Drug Discovery
• Experience working with QSAR/SAR models, virtual screening, or molecular modeling
• Understanding of chemical structure representation and similarity search
• Experience working with chemical databases (e.g., ChEMBL, PubChem)
• Solid knowledge of data analysis and statistical modeling
• Experience applying Machine Learning techniques in scientific contexts
• Familiarity with tools such as RDKit or similar cheminformatics libraries
• Ability to work in an R&D-oriented environment

Nice to have

• Experience with molecular dynamics simulations
• Knowledge of quantum mechanics modeling
• Experience with cloud environments (AWS, Azure, or GCP)
• Experience deploying ML models into production
• Background in Pharmaceutical or Biotechnology industry

We offer

• CONTINUOUS UPSKILLING, LEARNING & DEVELOPMENT
  • Diversity of tasks and projects
  • Assessment center for objective review of competency level
  • Personal development plan
  • Mentoring programs and leadership development
  • Certification and professional development support
  • Access to learning platforms including more than 2,500 internal courses
  • English courses taught by certified teachers
• CORPORATE BENEFITS
  • Extra leave days
  • Referral bonuses
• COMPENSATION PACKAGE
  • Competitive compensation paid in USD
  • Regular salary and performance reviews
• MEDICAL & HEALTHCARE
  • Private health insurance
  • Well-being events
• WORKING ENVIRONMENT
  • Recreation areas and kitchens
  • Tea, coffee and snacks
  • Sports equipment and game consoles
  • IT Equipment
  • Microsoft’s Software Assurance Home Use Program (HUP)

Please note that our Talent Attraction Team reviews applications and CVs submitted in English.

EPAM is global leader in AI transformation engineering and integrated consulting, serving Forbes Global 2000 companies and ambitious startups. With over thirty years of expertise in custom software, product and platform engineering, we empower our clients to become AI-Native enterprises, driving measurable value from innovation and digital investments.

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