Senior Python Engineer (Cheminformatics / Drug Discovery)

About the role

EPAM is looking for a Senior Python Engineer with deep expertise in cheminformatics and computational chemistry to join its Life Sciences practice. You will develop advanced software tools that enable drug discovery and pharmaceutical research, working at the intersection of chemistry, data science, and machine learning.

Key responsibilities

• Design and implement software solutions for chemical data analysis and drug discovery.
• Build and maintain computational pipelines for processing molecular and experimental data.
• Develop algorithms for virtual screening, QSAR/SAR modeling, and molecular descriptor calculation.
• Work with chemical structure representations such as SMILES, molecular graphs, and fingerprints.
• Integrate data from public chemical databases like 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.

Required profile

• Strong Python development experience.
• Proven background in cheminformatics, computational chemistry, or drug discovery.
• Hands‑on experience with QSAR/SAR models, virtual screening, or molecular modeling.
• Familiarity with chemical databases (e.g., ChEMBL, PubChem) and chemical structure similarity search.
• Solid knowledge of data analysis, statistical modeling, and applying ML in scientific contexts.
• Experience in an R&D‑oriented environment, preferably within pharma or biotech.

Required skills

• Python
• RDKit or similar cheminformatics libraries
• SMILES, molecular graphs, fingerprints
• Machine Learning frameworks
• QSAR/SAR modeling
• Virtual screening algorithms
• Cloud platforms (AWS, Azure, GCP)
• Data analysis and statistical modeling tools

What we offer

• Fully remote work from anywhere in Armenia (home or EPAM offices in Yerevan/Gyumri).
• Opportunities to work abroad up to two months per year.
• Leadership development, career advising, and soft‑skill programs.
• Access to EPAM’s internal learning database and certifications (GCP, Azure, AWS).
• Free English classes with certified teachers.
• Employee Stock Purchase Plan and referral bonuses.