Computational Chemist Specialist

5 days ago

Bengaluru, Karnataka, India beBeeComputational Full time ₹ 15,00,000 - ₹ 20,00,000

Embark on a challenging role as a Computational Scientist and contribute to pioneering projects in drug discovery and material science.

","Key Responsibilities
  1. Design and optimize small and large molecules using structure & ligand-based approaches, driving innovation in computational modeling.
  2. Develop and implement QSAR/QSPR models to predict molecular properties, enhancing compound selection for breakthrough discoveries.
  3. Apply cheminformatics techniques to analyze and interpret complex chemical and biological data, uncovering hidden patterns and insights.
  4. Harness data science methodologies, including machine learning, to derive actionable insights from computational chemistry datasets, fueling informed decision-making.
  5. Prepare and submit comprehensive reports in the relevant format, effectively communicating results to stakeholders and contributing to design sessions within the team.
  6. Support the development of computational tools and workflows, streamlining processes and ensuring seamless integration with existing systems.

Meet the challenges of this dynamic role by bringing expertise in computational techniques relevant to drug discovery and material science. Possess experience with modeling tools such as Schrodinger, MOE, ICM, Cresset, KNIME, and Pipeline Pilot, among others. Leverage strong analytical skills, combined with proficiency in molecular dynamics simulations, quantum chemistry, shape and electrostatic comparison, homology modeling, docking, and pharmacophore modeling.

","Requirements
  • Possess a Master's degree in Computational Chemistry, Organic Chemistry, Pharmacy, Biotechnology, Life Sciences, or a related field, complemented by experience in computational techniques for drug discovery.
  • Demonstrate expertise in QSAR/QSPR modeling, cheminformatics, and data science approaches in drug discovery, with a strong understanding of computational techniques relevant to drug discovery and material science.
  • Display proficiency in high-performance computing environments, Linux-based clusters, and GPU systems, along with knowledge of Python programming.
  • Exhibit excellent interpersonal and communication skills, enabling effective collaboration and clear conveyance of complex scientific information.
  • Demonstrate ability to work independently and collaboratively, adapting to dynamic project requirements and priorities.
"],

  • Senior Organic Chemist

    3 days ago

    Bengaluru, Karnataka, India beBeeOrganicChemist Full time ₹ 12,00,000 - ₹ 30,00,000

    Job Title: Senior Organic Chemist - Process Development SpecialistThe role of a Senior Organic Chemist - Process Development Specialist involves direct contributions to the design of synthetic routes, process optimization, and development of novel compounds.

  • Computer-Aided Therapeutic Design Specialist

    1 day ago

    Bengaluru, Karnataka, India beBeeDrugDiscovery Full time ₹ 2,00,00,000 - ₹ 2,50,00,000

    Computational Chemistry SpecialistWe are seeking a skilled Computational Chemistry Specialist to join our team.This role offers the opportunity to apply cutting-edge AI/ML methodologies to accelerate the identification, design, and optimization of novel therapeutics.Key Responsibilities:Develop, validate, and deploy state-of-the-art ML models (incl. de novo...

  • Urgent) Computational Chemist

    3 weeks ago

    Bengaluru, Karnataka, India Unilever Full time

    Job DescriptionJob Title: Computational ChemistFunction: Science & TechnologyReports to: Research ScientistScope: PCLocation: Unilever R&D BangaloreAbout UnileverEstablished over 100 years ago, we are one of the worlds largest consumer goods companies. We are known for our great brands and our belief that doing business the right way drives superior...

  • Specialist - Computational Chemistry & AI ML

    2 days ago

    Bengaluru, Karnataka, India Aurigene Pharmaceutical Services Limited Full time

    This role offers the opportunity to apply cutting-edge AI/ML methodologies to accelerate the identification, design, and optimization of novel therapeutics, working at the interface of computational science, medicinal chemistry, and biology.Key ResponsibilitiesAI-Driven Drug Discovery: Develop, validate, and deploy state-of-the-art ML models (incl. de novo...

  • Specialist - Computational Chemistry & AI ML (16/08/2025)

    3 weeks ago

    Bengaluru, Karnataka, India Aurigene Pharmaceutical Services Limited Full time

    This role offers the opportunity to apply cutting-edge AI/ML methodologies to accelerate the identification, design, and optimization of novel therapeutics, working at the interface of computational science, medicinal chemistry, and biology.Key Responsibilities- AI-Driven Drug Discovery: Develop, validate, and deploy state-of-the-art ML models (incl. de novo...

  • Senior Analytical Chemist

    2 days ago

    Bengaluru, Karnataka, India beBeeLCMSData Full time ₹ 12,00,000 - ₹ 16,00,000

    Job Role:LC-MS Data ExpertWe are seeking a highly skilled and experienced LC-MS data expert to join our team. The ideal candidate will have a strong background in analytical chemistry, with expertise in interpreting LC-MS/MS and chromatographic data.This role involves analyzing and interpreting LC-MS data for qualitative and semi-quantitative chemical...

  • Cloud Computing Specialist

    2 days ago

    Bengaluru, Karnataka, India beBeeCloud Full time ₹ 35,00,000 - ₹ 80,00,000

    Cloud Operations SpecialistWe are seeking a motivated and passionate individual to join our Cloud Operations team. This role offers an exciting opportunity for individuals who are eager to start their career in cloud operations.Key ResponsibilitiesMonitoring and Performance: You will be responsible for monitoring the health and performance of our cloud...

  • AI Research Specialist

    1 day ago

    Bengaluru, Karnataka, India beBeeComputationalBiology Full time ₹ 2,00,00,000 - ₹ 2,50,00,000

    We're seeking a seasoned academic specialist to lead cutting-edge research in AI, ML, and computational biology.The ideal candidate will have a strong academic background in AI, ML, and NGS with hands-on experience in computational biology and advanced biological data analysis.Key ResponsibilitiesDevelop and deliver training modules in AI, ML, and...

  • High-Performance Computing Research Specialist

    1 day ago

    Bengaluru, Karnataka, India beBeehighperformancecomputing Full time ₹ 15,00,000 - ₹ 25,00,000

    High-Performance Computing Research SpecialistWe are seeking highly skilled professionals with expertise in High-Performance Computing (HPC) or related fields.About the Role:A challenging opportunity to leverage advanced HPC technologies, collaborate with a talented team, and contribute to impactful projects that solve real-world problems.Key...

  • Senior Organic Synthesis Specialist

    3 days ago

    Bengaluru, Karnataka, India beBeeOrganicSynthesisEngineer Full time ₹ 10,00,000 - ₹ 15,00,000

    We are seeking a skilled chemist to join our dynamic team in India. The ideal candidate will have a strong background in organic synthesis and be responsible for designing and optimizing synthesis processes to support our product development initiatives.Key Responsibilities: