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Cheminformatics Data Scientist

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UK

👥 Who we are

We are builders at heart.

We were the first hires in TechBio startups, growing from 10 people and no funding to 100s of employees and $100Ms in funding.

We’ve lived through the challenges and triumphs of scaling and driving breakthroughs.

We’ve learned what it takes to succeed and what mistakes to avoid.

We are now building a company to redefine the boundaries of Drug Discovery.



🔬 What is Kiin AI

We are on a mission to help biotech companies get drugs to market faster. We believe in a future where Virtual Scientists empower human scientists to intelligently design, run and interpret experiments that are tailored to each drug discovery programme.

We are building this future. We are building the underlying tech layer to power the 10,000 drug discovery companies out there.

So far we have created Virtual Scientists that use 100s of tools to help researchers go from literature review and data discovery to bioinformatic and toxicology insights. We need your help to create Virtual Scientists to cover the entire drug discovery value chain!

We are still in stealth but already funded!



🧩 What You’ll Own

  • Design & Deploy Cheminformatics Pipelines: Build robust tooling to power molecular modeling, virtual screening, SAR analysis, and chemical data processing (e.g., ADMET, PK/PD) for our Virtual Scientists.
  • Architect Scalable Data Infrastructure: Develop secure, high-performance systems to manage and process chemical structures from both public repositories (e.g., ChEMBL, SureChEMBL) and proprietary client sources.
  • Prototype and Operationalise AI Models: Fine-tune, evaluate, and deploy advanced models, including transformers, GNNs, and diffusion architectures, for tasks such as molecular generation and predictive chemistry.

✨ We are looking for an A-team player that:

  • Brings industry experience in developing cheminformatics applications for drug discovery
  • Has a growth mindset and always wants to push their knowledge & boundaries
  • Wants to drive large projects, from idea to scalable solution
  • Ideally brings hands-on experience with LLMs and AI, along with a clear understanding of their limitations in real-world applications
  • Is comfortable wearing multiple hats
  • Aligns with our values 👇👇

💜 Our Values

  • Experience Is King: Obsessed with every Experience, from user and buyer to dev
  • Crazy Ideas: Don’t think outside the box. Think like there is no box.
  • Excellence: Everything we do has the highest standard. No bullshit
  • Meaningful Work: Wake up excited to bend the future.
  • Unity in Execution: Small, focused, accountable. One unit, one goal.

🤖 Our Tech Stack

  • Cloud agnostic, leveraging all 3 major cloud providers
  • Python heavy, but modular and open to other languages
  • Major libraries and projects used in life sciences (e.g. nextflow, RDKit and many more)
  • Building our own AI agentic stack
$50,000 - $70,000 USD/year