Machine Learning Jobs

• London
• Hybrid · 3 days in office
• Senior · manages people

Lead computational chemistry strategy across drug discovery programs, applying AI-first approaches to hit finding, molecular design and lead optimisation. Work with ML scientists to embed generative models into cheminformatics workflows, with some roles managing 2-3 computational chemists.

REINVENT · AlphaFold · Large Language Models

• London
• Hybrid · 3 days in office
• Senior

Join the Computational Sciences team to design novel large-molecule therapeutics using a cutting-edge AI drug design engine. You will develop computational and machine learning methods to predict biologics properties from sequence, benchmark models, and analyse lab data to guide early discovery through candidate selection.

AlphaFold

• London
• Director · manages people
• Permanent

Lead the platform engineering team owning hybrid on-prem and cloud compute, Kubernetes clusters, and MLOps infrastructure such as Kubeflow notebooks, GPU training and model serving. Set architectural direction, mature CI/CD, observability and security controls, and ensure scientific compute meets the needs of ML and data science teams. Reports to the VP of Engineering in a matrixed TechBio environment.

Kubernetes · Kubeflow · ISO 27001 +2

• London
• Hybrid
• Mid-level
• Permanent

Join the Platform Team to design and scale a hybrid compute cluster spanning private and multiple public clouds. You will manage Kubernetes-based infrastructure, build core platform services and APIs, improve CI/CD pipelines, and set up monitoring, backup and security practices while supporting Machine Learning and Data Science teams.

Kubernetes · GitHub Actions · ArgoCD +3

• London
• Hybrid · 3 days in office
• Senior

Lead pharmacology and translational biology strategy for large molecule therapeutics, designing in vivo efficacy and complex in vitro functional assays. Act as Biology Lead on projects, coordinating internal workflows and external CROs through candidate selection, while feeding data back into generative AI design loops.

Machine Learning · AI · Computational Biology +1

• Lausanne, Switzerland
• Hybrid · 3 days in office
• Senior
• Permanent

Architect and secure an AI-first drug discovery platform, reporting to the CISO. You will build AI/ML threat models, protect model artifacts, deploy LLM and agentic guardrails, and lead AI-specific incident response across distributed training and inference infrastructure.

JAX · PyTorch · TensorFlow +7

• London
• Hybrid · 3 days in office
• Lead · manages people

Lead a team of biologists in the Exploratory Sciences group, owning in vitro pharmacology strategy for novel modalities such as TPD, molecular glues and peptides. Design screening cascades and quantitative assays, set ML-ready data standards, and champion LLM agentic workflows while managing CRO and academic studies.

SPR · GCI · nanoDSF +5

• London
• Hybrid · 3 days in office
• Senior

Research Engineers build and optimise state-of-the-art AI models for drug design, working across the full ML lifecycle from experimentation and evaluation to production deployment. The role involves developing robust codebases, data pipelines and training infrastructure, with a focus on architectures such as Transformers, GNNs and diffusion models, in close collaboration with scientists and engineers.

JAX · PyTorch · XLA +6

• London
• Hybrid · 3 days in office
• Senior

Translate the company's security strategy into engineering reality, steering a multi-quarter InfoSec roadmap across Cloud Security, Platform IAM and Secure SDLC. Partner directly with engineering and ML teams to secure drug discovery pipelines and Agentic AI workflows, and build data-driven dashboards giving the CISO visibility into program health and risk reduction.

GCP · ISO 27001 · ISO 42001 +6

• London
• Hybrid · 3 days in office
• Senior · manages people

Lead and contribute to core machine learning research applying large language models to drug discovery, developing and refining LLM-driven approaches across biology and chemistry problems. Work spans post-training, reasoning, test-time scaling, tool-use, alignment, agents and reinforcement learning, with model training and inference engineering in JAX, PyTorch or TensorFlow. Depending on experience, you may also lead standalone projects, mentor ML researchers and shape the research roadmap.

JAX · PyTorch · TensorFlow +3

• London
• Hybrid · 3 days in office
• Senior · manages people

Builds greenfield machine learning models and algorithms for drug discovery, designing new architectures, running experiments and scaling training and inference frameworks. Works in an interdisciplinary team of ML scientists, engineers and domain experts, with opportunities to lead projects and mentor others depending on experience.

JAX · PyTorch · TensorFlow +3

• London
• Hybrid · 3 days in office
• Senior

Lead the hardening and scaling of an inference platform serving fleets of cutting-edge ML models for scientific applications. Set strategy and roadmaps, architect next-generation services, and solve core scaling limits for high-throughput performance, partnering with research, product and operations teams.

Kubernetes · Google Cloud Platform · NVIDIA GPU +1

• London
• Hybrid · 3 days in office

A general expression-of-interest pipeline for experienced software engineers, ML researchers and engineers, computational chemists and technical program managers. The interdisciplinary team builds predictive and generative AI models for drug design, working across therapeutic areas and modalities. Hybrid working requires three days a week in the London office.

AlphaFold

• Cambridge, United States
• Hybrid · 3 days in office
• Senior · manages people

Lead translational biology for small-molecule drug discovery, designing in vitro/in vivo pharmacology, PK/PD and safety packages and biomarker strategies that bridge ML predictions to clinical translation. Oversee CRO networks and provide scientific input to ML, DMPK, toxicology and clinical teams, with some roles line-managing 2-3 in vivo pharmacologists.

Machine Learning · AlphaFold

• London
• Senior
• Permanent

Processes and QC's paired single-cell RNA-seq and scATAC-seq at scale, building Nextflow pipelines and multimodal training datasets in Zarr for GPU-accelerated model training. Partners with wet lab scientists and ML modellers, contributing to evaluation frameworks that test whether models capture meaningful biology.

STARsolo · Alevin-fry · Chromap +7