📋 Job Details at a Glance 📍 Location Bangalore, Karnataka, India 🏢 Company Eli Lilly 👥 Experience 1-3 years 🎓 Qualification Hands-on with Python, PyTorch. Relevant technical qualification and demonstrated shipping experience 📅 Eligible Batch 2024, 2025, 2026 📄 Job Type Full Time 💰 Salary Not Disclosed 🏢 Industry Technology 🛠 Key Skills Python PyTorch Machine Learning Deep Learning Model Validation Experimental Design Transformers Graph Neural Networks Data Scientist - AI Drug Discovery at Eli Lilly — Full Details & How to Apply Eli Lilly is seeking a Data Scientist - AI Drug Discovery to develop and validate in silico models in Bangalore, Karnataka, India . This role requires hands-on experience with Python and PyTorch , and is part of Eli Lilly ’s technology-driven drug discovery initiatives. This position directly supports drug discovery by building and validating machine learning models that answer critical scientific questions through in silico experimentation. The role involves applying advanced techniques such as deep learning , model validation , and experimental design to biomedical data. Candidates will work with tools including Python , PyTorch , Machine Learning , Deep Learning , Transformers , and Graph Neural Networks , enabling the development of predictive models for drug candidates. Eli Lilly recruitment for this role emphasizes technical rigor and practical application. The job posting specifies that the position is within the technology industry and focuses on AI-driven drug discovery. The team prioritizes hands-on technical qualifications and demonstrated shipping experience, reflecting a focus on real-world implementation of models in scientific workflows. 2024, 2025, 2026 graduates who have hands-on with Python, PyTorch , and a relevant technical qualification and demonstrated shipping experience are eligible. The role requires 1-3 years of experience . The salary is Not Disclosed . Candidates will gain practical experience in Python , PyTorch , Machine Learning , Deep Learning , Model Validation , Experimental Design , Transformers , and Graph Neural Networks . This role provides exposure to biomedical data analysis and offers a pathway into applied AI within pharmaceutical R&D, with potential for progression into senior AI roles in drug discovery. 📊 Role Difficulty: Medium | Competition Level: Medium | Fresher Friendly: No NexisGrow.com features this opportunity as part of its curated tech job listings. All details are sourced from the official job posting. Apply online before the opportunity closes. Data Scientist - AI Drug Discovery jobs | Eli Lilly recruitment | Bangalore, Karnataka, India jobs | apply online Job Role & Responsibilities At Eli Lilly , this Data Scientist - AI Drug Discovery role focuses on building and validating in silico models using Python and PyTorch to predict molecular activity and optimize lead compounds in drug discovery pipelines. The role directly supports the development of deep learning models that reduce time-to-lead by improving accuracy in model validation and experimental design . Develop and validate in silico models using Python and PyTorch to predict molecular binding affinity and activity in drug discovery workflows. Apply deep learning techniques, including Transformers and Graph Neural Networks , to model complex molecular structures and interactions in drug discovery data. Validate machine learning models using model validation metrics such as ROC-AUC , precision-recall curves , and cross-validation scores to ensure reliability in experimental design . Collaborate with scientists and engineers to integrate machine learning solutions into existing drug discovery pipelines using Python scripts and PyTorch modules. Implement data harmonization techniques to standardize heterogeneous datasets from high-throughput screening and chemical databases for consistent experimental design . Maintain versioned Python code repositories using Git and automated testing frameworks such as pytest to ensure reproducibility in model development workflows. Document model performance, data pipelines, and validation results in technical reports and presentation decks for internal scientific review and scientific communication . Diagnose and resolve performance issues in deep learning models using PyTorch debugging tools and model validation metrics to improve accuracy in drug discovery predictions. This role demands direct ownership of model performance , with candidates accountable for data quality , validation metrics , and end-to-end model lifecycle decisions that impact real-world drug discovery outcomes. Required Skills & Technical Competencies The role requires a strong foundation in machine learning and deep learning techniques, with direct application in drug discovery using Python and PyTorch . Candidates must demonstrate hands-on experience with model validation , experimental design , and data harmonization in technical projects. Technical Skills Python — entry — essential for developing and validating in silico models using PyTorch and scikit-learn for model validation and data preprocessing. PyTorch — intermediate — used for implementing deep learning models, including Transformers and Graph Neural Networks , in drug discovery workflows. Machine Learning — intermediate — foundational for applying deep learning and model validation to predict molecular activity in drug discovery pipelines. Deep Learning — intermediate — applied to build models that predict molecular interactions using Transformers and graph-based architectures in drug discovery data. Model Validation — intermediate — used to evaluate model performance using ROC-AUC , precision-recall , and cross-validation metrics in drug discovery datasets. Experimental Design — intermediate — applied to design and optimize high-throughput screening experiments using data harmonization and statistical validation. Transformers — entry — used to model molecular sequences and interactions in drug discovery using PyTorch -based sequence models. Graph Neural Networks — entry — applied to represent and analyze molecular structures as graphs for drug discovery prediction tasks. When showcasing these skills, emphasize specific projects where you used Python and PyTorch to build and validate deep learning models with model validation metrics, and include code repositories or technical reports as evidence. Eligibility Criteria This role is designed for candidates with a relevant technical qualification and 1–3 years of hands-on experience in machine learning or data science projects, particularly in drug discovery or chemical informatics domains. Must hold a degree in Computer Science, Data Science, or a related technical field with a focus on machine learning or computational chemistry . Eligible batches are 2024, 2025, and 2026 only. Must have 1–3 years of hands-on experience in Python programming and machine learning model development, including PyTorch implementation. Academic performance is not specified, but demonstrated technical competence in model validation and data analysis is essential. Must have a portfolio showcasing Python scripts, PyTorch models, and model validation results from real or simulated drug discovery projects. Experience with experimental design or data harmonization in scientific datasets is a key differentiator. Documentation & Portfolio Requirements Your resume must include a technical portfolio with Python code, PyTorch model implementations, and model validation results from projects involving machine learning in drug discovery or related domains. Include code repositories or technical reports that demonstrate model performance and validation metrics . For this role, prioritize projects where you used Python and PyTorch to build and validate deep learning models for predicting molecular activity or structure — include metrics like ROC-AUC, precision-recall, and cross-validation scores in your portfolio. Salary for Data Scientist - AI Drug Discovery at Eli Lilly 💰 Compensation Not Disclosed The advertised compensation for the Data Scientist - AI Drug Discovery role at Eli Lilly is Not Disclosed . The exact in-hand figure and any additional components are confirmed by the company during the offer or HR discussion stage. Recommended Courses & Preparation Tips for Data Scientist - AI Drug Discovery Upskilling with the right resources significantly enhances your chances of selection for this specialized role. Recommended Courses & Resources Python — Essential for data manipulation and analysis in AI drug discovery. PyTorch — Crucial for building and training deep learning models effectively. Machine Learning — Fundamental concepts to understand algorithms used in drug discovery. KodNest — Provides hands-on experience with real-world projects in data science. Boost your profile with relevant certifications at NexisGrow GetCertified — strengthen your application before you apply. Common Mistakes to Avoid ❌ Applying without demonstrating hands-on experience with Python — ensure your resume includes relevant projects. ❌ Using a generic resume — tailor your experience to align with the specific responsibilities outlined in the job description. ❌ Listing technologies like PyTorch without context — provide details on how they were applied in previous projects. ❌ Ignoring qualification and experience requirements — this could lead to an automatic disqualification. ❌ Adding unrelated technologies or unsupported claims — this may backfire during the review process. ❌ Failing to verify the official Apply URL — ensure you check the job details before submission. Before You Apply — Checklist ✅ Confirm the job title, company, location, work mode, and experience requirement. ✅ Check that the candidate meets the supplied qualification criteria. ✅ Verify eligibility against the supplied eligible batches and experience requirement. ✅ Add relevant supplied JD keywords naturally to the resume. ✅ Highlight projects or experience related to the supplied technologies and responsibilities. ✅ Remove unsupported technologies, achievements, or experience claims. ✅ Open and verify the supplied Apply URL before submitting the application. ✅ Save the job details, application date, and role-specific resume version for tracking. Resume Tailoring & ATS Keywords for Data Scientist - AI Drug Discovery Optimizing your resume for ATS is crucial for standing out in the application process for this role. ATS Keywords to Include Python PyTorch Machine Learning Deep Learning Model Validation Experimental Design Transformers Graph Neural Networks Biomedical Data Analysis In Silico Models Data Harmonization Quality Control Resume Tips for This Role Highlight your hands-on experience with Python prominently on your resume. Emphasize familiarity with PyTorch and machine learning techniques. Include projects that demonstrate your ability to develop in silico models. Use exact keywords from the job description naturally in your resume. Avoid adding unsupported claims or technologies that you cannot substantiate. Build an ATS-optimized resume for this role using NexisGrow Resume Builder — free for all job seekers. Pro tip: Avoid including unrelated technologies or unsupported claims in your resume for this role. How to Apply for Data Scientist - AI Drug Discovery at Eli Lilly Apply Now — Eli Lilly Open the official Apply URL and confirm the job title and company is correct. Prepare a resume aligned with the required skills, responsibilities, qualifications, and experience. Complete the official application form accurately and avoid unsupported claims. Submit the application and save the confirmation or application reference if provided. Record the application date and monitor the official company portal or registered email for updates. Applications reviewed on rolling basis — early submission recommended. Apply Now — Eli Lilly NexisGrow.com does not charge any fees for job applications. Eli Lilly Eli Lilly is a technology company based in Bangalore, Karnataka, India, operating in an onsite work mode. It specializes in AI-driven drug discovery, applying advanced machine learning to accelerate innovation in biomedical research and development. The team develops and validates in silico models using Python , PyTorch , and deep learning techniques. They apply machine learning , experimental design , and graph neural networks to analyze complex biomedical data, including single-cell omics and chemistry imaging. This role supports Eli Lilly ’s mission by applying machine learning to solve real-world challenges in drug discovery. It bridges data science and scientific research through collaboration with engineers and scientists. Candidates gain early-career exposure to tools like Transformers , model validation , and reproducible workflows. This role offers hands-on experience with foundational AI methods in a scientific context. Company Details Industry Technology Location Bangalore, Karnataka, India Connect With Us Careers Apply Now Website 🔗 lilly.wd115.myworkdayjobs.com Frequently Asked Questions Interview · Role · Salary · Growth ? Who can apply for this role? Eligibility Tap to expand + Answer Candidates with a relevant technical qualification from the 2024, 2025, or 2026 batches and 1-3 years of experience can apply. ? What technical skills are most important for this role? Skills Tap to expand + Answer The most important skills are Python, PyTorch, Machine Learning, and Deep Learning. ? What is the expected salary for this position? Salary Tap to expand + Answer Salary Display is Not Disclosed, which is the only salary information available. ? What should I expect after applying? Hiring Process Tap to expand + Answer The exact hiring stages are not specified in the job posting. ? How should I prepare for the interview? Preparation Tap to expand + Answer Review Python and PyTorch applications, understand machine learning concepts, prepare to discuss your relevant projects, practice technical communication, and familiarize yourself with drug discovery processes. ? Is this role remote, hybrid, or onsite? Work Mode Tap to expand + Answer This role is onsite in Bangalore, Karnataka. ? What career exposure can this role provide? Growth Tap to expand + Answer The role provides exposure to advanced machine learning techniques and collaboration with multidisciplinary teams in drug discovery. ? What should I highlight in my resume for this role? Resume Tap to expand + Answer Highlight your experience with Python, PyTorch, machine learning, and any relevant projects in drug discovery. ? Is there a last date to apply? Application Tap to expand + Answer Not specified in the job posting. ? Is there a probation period? Probation Tap to expand + Answer Not specified in the job posting. ? What is the work environment like for this role? Culture Tap to expand + Answer The role involves collaboration with multidisciplinary teams, including engineers and scientists, as stated in the job description. ? Can freshers apply for this role? Fresher Tap to expand + Answer No, the experience requirement is 1-3 years, making it unsuitable for freshers. 🔗 Explore More on NexisGrow More jobs in Bangalore Browse all Tech jobs Latest Fresher jobs More jobs at Eli Lilly Work From Home jobs Ready to Apply? Don't Miss This Opportunity! Apply only via the official link. NexisGrow.com charges zero application fees. 👉 Apply Now — Official Link NexisGrow.com does not charge any application or registration fees. Beware of fraudulent offers. Naukri ki baat, NexisGrow ke saath • NexisGrow.com