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Senior/Staff Scientist, Cheminformatics & Data Science at Deep Origin. Deep Origin is seeking a . Senior or Staff Scientist. with strong expertise in . cheminformatics, machine learning, and drug discovery. to join a groundbreaking initiative funded by ARPA-H. This is a rare opportunity to help define and deploy scalable computational models for predicting protein-ligand binding, enabling next-generation therapeutics.. You’ll work with a multidisciplinary team of scientists and engineers to lead . ligand- and structure-based modeling. . efforts. , contribute to data curation, and develop high-performing predictive models that accelerate molecular design.. . Ph.D. in cheminformatics, computational chemistry, chemical biology, or a related field;. . 2+ years of industry experience in drug discovery or pharmaceutical data science;. . Deep familiarity with . protein-ligand interactions. , protein structure handling, and ligand representations;. . Strong proficiency in . Python. , with hands-on experience using . RDKit, scikit-learn, PyTorch. , or similar frameworks;. . A strong foundation in ML model development, validation, and interpretability. . . Nice to have:. . Experience working with DNA-encoded libraries datasets, including data quality control and preprocessing;. . Exposure to protein structure analysis, scoring functions, or ligand docking workflows (e.g., AutoDock Vina, etc.);. . Familiarity with cloud platforms (AWS, GCP) and workflow orchestration tools.. . Responsibilities: . . Design, curate, and process diverse chemical and biological datasets (ChEMBL, BindingDB, RCSB PDB, UniProt, etc.);. . Build and evaluate ligand-based ML models (e.g., QSAR) using methods like gradient-boosted trees, neural nets, and graph neural networks (GNNs);. . Incorporate structural features of proteins and ligands into affinity prediction workflows;. . Collaborate closely with medicinal chemists, biologists, and data scientists to support data-driven discovery decisions;. . Plan and organize work to meet key deadlines and milestones; coordinate with collaborators to ensure integration with broader project efforts;. . Communicate effectively within Deep Origin and with external partners, regularly sharing updates on progress, blockers, and decisions;. . Clearly communicate model performance, limitations, and insights to both technical and non-technical teams.. . Why Join Deep Origin. Deep Origin builds cloud-native tools for scientists working on the frontiers of biology, chemistry, and computation. We’re mission-driven and deeply collaborative, your work will directly impact how therapeutics are discovered and optimized. As part of this ARPA-H initiative, you'll have the opportunity to operate at the cutting edge of scientific infrastructure and translational impact.. We offer:. . A remote-friendly environment (with hubs in the US and Armenia);. . Competitive compensation and equity packages;. . Flexible schedules;. . A culture that encourages curiosity, autonomy, and creative problem-solving. . . Apply now and help accelerate the future of therapeutic discovery.. Company Location: Armenia.