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 create and maintain advanced software tools that support drug discovery and pharmaceutical research, working closely with scientists and data scientists.

Key responsibilities

• Design and develop software solutions for chemical data analysis and drug discovery.
• 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 such as SMILES, molecular graphs, and fingerprints.
• Integrate and analyze data from databases like ChEMBL and PubChem.
• Apply machine‑learning techniques to chemical and biological datasets.
• Collaborate with cross‑functional engineering teams and scientific researchers.
• Ensure code quality, scalability, and reproducibility of computational workflows.

Required profile

• Strong Python development experience.
• Proven background 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.
• Hands‑on work with chemical databases (e.g., ChEMBL, PubChem).
• Solid knowledge of data analysis, statistical modeling, and machine learning in scientific contexts.
• Familiarity with RDKit or similar cheminformatics libraries.
• Ability to thrive in an R&D‑oriented environment.

Required skills

• Python
• RDKit
• Machine Learning
• Data Analysis
• Statistical Modeling
• QSAR/SAR Modeling
• Virtual Screening
• Molecular Modeling
• SMILES
• Molecular Graphs
• Fingerprints
• ChEMBL
• PubChem
• AWS
• Azure
• GCP

What we offer

• Fully remote work from anywhere in Armenia.
• Opportunities to work abroad up to two months per year.
• Leadership development, career advising, and well‑being programs.
• Access to internal learning resources, certifications (AWS, Azure, GCP), and free English classes.
• Employee Stock Purchase Plan and monetary referral bonuses.