Department: Molecular Informatics
Location: Bommasandra, Bengaluru, India
Minimum Experience: 5 years
Senior Data Scientist – Molecular Informatics
Role Overview
We are seeking a Senior Data Scientist – Molecular Informatics to develop advanced AI/ML solutions to drive innovations in chemistry. This role focuses on cheminformatics, molecular informatics and reaction informatics related to New Chemical Entity (NCE) discovery, leveraging modern machine learning architectures to accelerate targeted property de novo molecular design, optimization, and synthesis.
Required Technical Skills
Core ML & Data Science
- Strong proficiency in:
- PyTorch, TensorFlow
- Scikit-learn, Pandas, NumPy
Cheminformatics & Domain Expertise
- Strong understanding of feature engineering for cheminformatics tasks:
- Molecular descriptors, fingerprints
- Reaction SMARTS
- Experience with molecular data representations (e.g., SMILES, graphs, 3D structures)
Advanced AI/ML Architectures
- Hands-on expertise in modern architectures, including:
- Transformers
- Graph Neural Networks (GNNs/GATs)
- Diffusion models
- Reinforcement learning
- Self-supervised and representation learning
- Ability to select, adapt, and optimize architectures based on problem context
Big data handling experience
- Familiarity with:
- Large-scale data processing and big data frameworks
- Distributed training (multi-GPU / multi-node)
Project Management & Collaboration
- Strong cross-functional collaboration skills across multi-disciplinary teams
- Proven ability to:
- Define project scope, timelines, and deliverables
- Manage priorities and stakeholder expectations
- Drive projects from concept to execution
- Effective communication skills, with the ability to translate complex technical insights into actionable outcomes
Education & Experience
- Advanced degree in Data Science, Computational Chemistry, Statistics, Computer Science, or a related field
- Demonstrated research and/or industry experience, including:
- Proven track record of publications, patents, or impactful project contributions
- Experience applying machine learning to real-world, complex datasets
Interested candidates can share their profile to rajesha.m@sravathi.ai or/and ben.geoffrey@sravathi.ai and samir.anapat@sravathi.ai