Senior Python Engineer: Cheminformatics & Drug Discovery

EPAM Systems; Georgia; On-site; USD 120,000 - 180,000; Full time

Benefits offered by this job

Unlimited access to EPAM's internal学习

Free English classes with certified老师

Relocation opportunities

Job summary

EPAM Systems seeks a Senior Python Engineer with Cheminformatics and Computational Chemistry expertise to support drug discovery and pharmaceutical research. You will build scalable computational tools at the intersection of chemistry, data science, and ML for scientists worldwide.

The role requires strong engineering skills and deep domain knowledge in chemistry or related sciences, with remote work available from Georgia (home, Tbilisi/Batumi offices, or Kutaisi coworking space).

Qualifications

• 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 (ChEMBL, PubChem).
• Solid knowledge of data analysis and statistical modeling.
• Experience applying Machine Learning techniques in scientific contexts.
• Familiarity with cheminformatics libraries such as RDKit.
• Ability to work in an R&D-oriented environment.

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

Cheminformatics

Computational Chemistry

Drug Discovery

QSAR/SAR modeling

Virtual screening

Molecular modeling

Machine Learning

Data analysis

Statistical modeling

RDKit

R&D environment

Tools

RDKit

Job description

EPAM Systems seeks a Senior Python Engineer with Cheminformatics and Computational Chemistry expertise to support drug discovery and pharmaceutical research. You will build scalable computational tools at the intersection of chemistry, data science, and ML for scientists worldwide.

The role requires strong engineering skills and deep domain knowledge in chemistry or related sciences, with remote work available from Georgia (home, Tbilisi/Batumi offices, or Kutaisi coworking space).