Direct message the job poster from Next Phase Recruitment
Senior Data Scientist – AI/ML (CADD)
I’m supporting an innovative client at the forefront of chemistry, robotics, and AI who is looking to hire a Senior AI/ML Data Scientist to help advance their small‑molecule discovery and computer‑aided drug design (CADD) capabilities.
This is an opportunity to join a cutting‑edge multidisciplinary team and play a key role in building and deploying state‑of‑the‑art models that directly accelerate drug discovery. Open to candidates within the UK/EU/US!
The Role
As Senior Data Scientist, you will:
* Develop and optimise advanced generative models (Transformers, GNNs, Diffusion Models) for molecular design and prediction tasks.
* Build scalable pipelines for processing large chemical/biological datasets and training high‑performance models.
* Apply modern AI/ML techniques to challenges such as ADMET/QSAR prediction, reaction prediction, binding affinity, and synthetic route design.
* Work closely with computational chemists, medicinal chemists, and engineers to integrate AI results into real discovery workflows.
* Design robust experiments to ensure model quality, synthesizability, novelty, and accuracy.
* Clearly communicate insights and recommendations across technical and non‑technical teams.
* Stay up to date with AI for drug discovery, multimodal models, and emerging research.
What We’re Looking For
* MSc/PhD plus 5+ years of experience in Machine Learning, Computer Science, Computational Chemistry/Biology, or related fields.
* Strong proficiency in Python and deep learning frameworks (PyTorch or TensorFlow).
* Deep understanding of modern ML architectures: Transformers, GNNs, VAEs/GANs/Diffusion Models.
* Experience leading complex ML projects end‑to‑end in a scientific context.
* Track record working with molecular data (SMILES, 3D structures) and biological datasets (protein sequences, assay data).
* Familiarity with efficient training methods (LoRA, quantization, distillation) and GPU/distributed environments.
* Experience with ML for protein structures or small‑molecule interactions is highly valuable.
* Strong communication, problem‑solving abilities, and a collaborative mindset.
Nice‑to‑Have Experience
* Cheminformatics tools such as RDKit
* RAG systems and vector databases (FAISS, Pinecone, Milvus, Redis)
* Protein language models (ESM, ProtBERT) or structure prediction approaches
* SQL/NoSQL databases
* Open‑source contributions or project portfolio
Seniority level
Mid‑Senior level
Employment type
Full‑time
Job function
Information Technology
Industries
Biotechnology Research, Pharmaceutical Manufacturing, and Research Services
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