Senior Python Engineer (Cheminformatics / Drug Discovery)

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. Unlock the potential of remote work in Kazakhstan, giving you the flexibility to work from home or access our offices in Astana, Almaty or Karaganda. Responsibilities Design and develop software solutions for drug discovery and chemical data analysisBuild and maintain computational pipelines for processing molecular and experimental dataImplement algorithms for virtual screening, QSAR/SAR modeling, and molecular descriptor calculationWork with chemical structure representations (SMILES, molecular graphs, fingerprints)Integrate and analyze data from chemical databases such as ChEMBL and PubChemApply machine learning techniques to chemical and biological datasetsCollaborate with scientists, researchers, and cross-functional engineering teamsEnsure code quality, scalability, and reproducibility of computational workflows Requirements Strong Python development experienceProven experience in Cheminformatics, Computational Chemistry, or Drug DiscoveryExperience working with QSAR/SAR models, virtual screening, or molecular modelingUnderstanding of chemical structure representation and similarity searchExperience working with chemical databases (e.g., ChEMBL, PubChem)Solid knowledge of data analysis and statistical modelingExperience applying Machine Learning techniques in scientific contextsFamiliarity with tools such as RDKit or similar cheminformatics librariesAbility to work in an R&D-oriented environment Nice to have Experience with molecular dynamics simulationsKnowledge of quantum mechanics modelingExperience with cloud environments (AWS, Azure, or GCP)Experience deploying ML models into productionBackground in Pharmaceutical or Biotechnology industry We offer We connect like-minded people:Delivering innovative solutions to industry leaders, making a global impactEnjoyable working environment, whether it is the vibrant office or the comfort of your own homeOpportunity to work abroad for up to two months per yearRelocation opportunities within our offices in 55+ countriesCorporate and social eventsWe invest in your growth:Leadership development, career advising, soft skills and well-being programsCertifications, including GCP, Azure and AWSUnlimited access to EPAM's internal learning databaseFree English classes with certified teachersDiscounts in local language schools, including online courses for the Kazakh languageWe cover it all:Participation in the Employee Stock Purchase PlanMonetary bonuses for engaging in the referral programMedical & family care packageSix trust days per year (sick leave without a medical certificate)Coverage of psychology sessions of your choiceBenefits package (sports activities, a variety of stores and services)Housing support program: preferential mortgage access via Otbasy Bank partnership 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. LT-Z1