Katamaran Industries is seeking a highly motivated Computational biologist or Bioinformatician to join our innovative team. This role will focus on advancing research in Machine Learning for Drug Discovery, particularly emphasising Generative AI and Small Molecule Drug Discovery. The successful candidate will design novel drugs using a Generative Adversarial Network that integrates with medicinal chemistry, chemo informatics, and molecular design processes

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Technical Skills and Responsibilities:

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● Developing Generative Adversarial Networks powered AI stack for de novo drug
designing.
● Programming Python(NumPy, Pandas, SciPy), Basic R for statistical analysis and
data visualization and Shell scripting for automation
● Working Knowledge of chemical modelling toolkits (e.g., RDKit, OpenEye),
SMILES/InChI notation, Molecular fingerprints and descriptors.
● Protein modelling tools RoseTTAfold and AlphaFold2 are required.
● Fluency in Python and experience with deep learning frameworks (e.g., PyTorch,
TensorFlow, Hugging Face Transformers).
● Graph Neural Networks for molecular representation and Basic generative models
(GANs, VAEs)
● Proficiency in CADD software packages (e.g., Protein-ligand docking, QM, molecular
dynamics).
● Experience with binding free energy estimation methods (e.g., thermodynamic
integration).
● Familiarity with medicinal chemistry datasets and concepts related to cheminformatics
and small molecule drug discovery.
● Data visualization (Matplotlib/Seaborn)
● Familiarity with cloud platforms (AWS, GCP, Azure), version control systems (Git),
High-performance computing, and CI/CD pipelines

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Responsibilities:

- Model Development: Fine-tune modern generative AI architectures and implement agentic workflows for applications in computational chemistry and small molecule drug discovery.

- Pipeline Management: Design, build and maintain robust and scalable machine learning pipelines that integrate solutions with internal and external cheminformatics and computational chemistry tools and APIs.

- Collaboration: Work closely with scientists and researchers within Katamaran to create impactful technologies for drug discovery research. Data Curation: Lead the creation and curation of high-quality, diverse datasets that power advanced ML models, directly influencing the success of drug discovery projects.

- Publication and Presentation: Contribute to scientific publications, present findings at internal and external conferences, and promote open-source code and workflows.

- Computational Support: Utilize modern computational chemistry methods to support various stages of drug discovery programs, including Hit Identification (Hit ID), Hit-to-Leads (H2L), and Lead Optimization (LeadOpt).

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Educational Qualifications:

-BS/MS with 2 years of experience or a recent PhD in bioinformatics or computational Biology or Chemical Sciences (Pharma, organic, computational, or biochemistry) or equivalent industry experience.

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Experience: Proven track record in developing and deploying scalable ML models and algorithms. A public portfolio of projects on GitHub/GitLab is preferred. Join us at Katamaran Industries to leverage your expertise in machine learning to make significant contributions to the field of drug discovery. If you are passionate about applying cutting-edge technology to solve complex problems in drug discovery, we would love to hear from you.

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Role: Data Science & Machine Learning- Other Industry Type: Pharmaceutical & Life Sciences Department: Data Science & Analytics

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Employment Type: Full Time, Permanent.

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Role Category: Data Science & Machine Learning.

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Education:

UG: B.Tech/B.E. in Bio-Chemistry/Bio-Technology, Biomedical, Chemical.

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PG: M.Tech in Bio-Chemistry/Bio-Technology, Biomedical, Chemical

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Doctorate: Ph.D/Doctorate in Chemical, Pharmacy, Chemistry, Bio-Chemistry/Bio-Technology, Biomedical, Biophysics, Biotechnology.

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Key Skills: Machine Learning, Cadd, Molecular Modeling, Bioinformatics, Deep Learning, Python.

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Annual salary range: 6 Lakhs to 12 Lakh

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If you are interested in this position, please send your resume to katamaranpvtltd@gmail.com