Lead AI/ML Engineer –Drug Discovery

4 weeks ago

India Pattern Agentix Full time

Employment Type: Full-Time/Remote

The Role:

We're seeking a hands-on AI/ML engineer to lead the architecture and implementation of our next-generation discovery pipeline. This role involves building tools that link disease biology with structure-based design, generative modeling, and safety prediction — all wrapped in a highly interoperable, graph-native infrastructure.

You'll be central to defining and building the intelligence behind our system: from data ingestion to model inference, and from semantic reasoning to compound evaluation.

Key Responsibilities:

  • Architect and implement AI-driven pipelines for multi-stage drug discovery
  • Develop and integrate predictive modeling tools for structural and chemical analysis
  • Work with generative algorithms to explore and optimize chemical space
  • Connect computational models to a multi-domain biomedical knowledge graph (RDF/OWL)
  • Design scoring and validation routines to assess novelty, fit, and biological plausibility
  • Build scalable, containerized workflows using modern MLops and data engineering tools
  • Collaborate with experts in biology, chemistry, and knowledge engineering to translate real-world constraints into robust, modular software

Required Qualifications:

  • Strong programming skills in Python and experience with scientific computing stacks
  • 2+ years of hands-on experience in machine learning, deep learning, or graph-based modeling
  • Experience building or working with biomedical or chemical data pipelines
  • Familiarity with cheminformatics and structural biology data (e.g., proteins, small molecules)
  • Practical experience with model evaluation, explainability, and data provenance

Nice to Have:

  • Experience with generative modeling (e.g., sequence-based, graph-based, or diffusion models)
  • Familiarity with multi-objective optimization or reinforcement learning in scientific domains
  • Exposure to open-source tools in bio/cheminformatics, or contributions to research software
  • Background in systems biology, pharmacology, or drug development is a plus

Why Join Us?

  • Help build a drug discovery platform that's explainable, reproducible, and open to the world
  • Work at the intersection of AI, biology, and semantic data systems
  • Join a collaborative and mission-driven team of scientists and engineers
  • Influence not just tools, but how the future of therapeutics is discovered

· About Us:

Pattern Agentix is pioneering a new model for drug discovery — open, explainable, and grounded in biological reality. We're developing a fully modular AI platform that integrates predictive modeling, generative design, and a richly structured biomedical knowledge graph. Our goal is to build an alternative to black-box pharma pipelines, driven by transparency, biological context, and cutting-edge machine learning.

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