Katamaran Industries Pvt. Ltd. is looking for a skilled professional with expertise in drug design using Generative AI. If you have a strong background in computational chemistry and machine learning, we invite you to apply.
Key Responsibilities:
- Fine-tune Generative AI models and implement agentic workflows for computational chemistry and drug discovery.
- Design and manage machine learning pipelines, integrating cheminformatics and computational chemistry tools.
- Collaborate with internal scientists to develop impactful drug discovery technologies.
- Curate high-quality datasets for ML-powered drug discovery projects.
- Contribute to scientific publications and present findings at conferences.
- Utilize modern computational chemistry methods for Hit Identification (Hit ID), Hit-to-Leads (H2L), and Lead Optimization (LeadOpt).
Qualifications:
- BS/MS with 2+ years of experience or a PhD in Bioinformatics, Computational Biology, or Chemical Sciences (Pharma, Organic, Computational, or Biochemistry).
Technical Skills Required:
- Generative Adversarial Networks (GANs) for de novo drug design.
- Programming in Python (NumPy, Pandas, SciPy), Basic R, and Shell scripting.
- Experience with chemical modeling toolkits (RDKit, OpenEye), molecular descriptors, and SMILES/InChI notation.
- Knowledge of protein modeling tools (RoseTTAfold, AlphaFold2).
- Hands-on experience with deep learning frameworks (PyTorch, TensorFlow, Hugging Face Transformers).
- Expertise in Graph Neural Networks (GNNs) and basic generative models (GANs, VAEs).
- Proficiency in CADD software (Protein-ligand docking, QM, molecular dynamics).
- Familiarity with binding free energy estimation methods (e.g., thermodynamic integration).
- Understanding of cheminformatics, medicinal chemistry datasets, and data visualization tools (Matplotlib/Seaborn).
- Experience with cloud platforms (AWS, GCP, Azure), version control (Git), and high-performance computing.
Preferred Experience:
- Proven track record in developing and deploying ML models for drug discovery.
- A public portfolio on GitHub/GitLab is a plus.
How to Apply?
📩 Interested candidates, please share your CVs at: technology@katamaranindustries.com
