Senior Computational Scientist

5 days ago

Bengaluru, Karnataka, India beBeeResearch Full time ₹ 1,80,00,000 - ₹ 2,20,00,000
Computational Science Expert Wanted

This role offers an exceptional opportunity to leverage cutting-edge AI/ML methodologies and accelerate the identification, design, and optimization of novel therapeutics. As a key member of our team, you will work at the interface of computational science, medicinal chemistry, and biology.

Key Responsibilities:

  • Develop, validate, and deploy state-of-the-art ML models for AI-Driven Drug Discovery, encompassing de novo design, virtual screening, ADMET modeling, and hit-to-lead optimization.
  • Collaborate with medicinal chemists, biologists, and computational scientists to integrate AI-derived insights into discovery workflows.
  • Design and maintain AI/ML infrastructure to facilitate efficient data analysis and hypothesis generation.
  • Monitor advancements in AI/ML for drug discovery, contribute to proprietary methods, and support intellectual property generation.
  • Analyze complex datasets and present actionable recommendations to multidisciplinary teams.

Required Qualifications:

  • Ph.D. in Computational/Medicinal Chemistry, Bio/Cheminformatics, AI/ML, or related discipline, with 3–6 years post-doctoral or industry experience.
  • Expertise in deep learning architectures (CNNs, RNNs, Transformers)
  • Proficiency in Python and ML frameworks (TensorFlow, PyTorch)
  • Experience with both structure-based and ligand-based drug discovery approaches
  • A strong interest in agentic AI — autonomous, goal-driven systems for scientific discovery.
  • Excellent communication, problem-solving, and cross-functional collaboration abilities.

Why Join Our Team?

You will have the opportunity to work on high-impact scientific programs, leveraging advanced computational tools to shorten the drug discovery timeline and improve success rates. You will be part of a collaborative, innovation-driven environment where science meets technology to create real-world health impact.

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