layiq

/la·yiq/adjective

worthy; deserving; fitting; suitable.

A role, opportunity, or path that merits attention, time, and pursuit.

AI Cheminformatics Engineer I at Frontier Medicines | LAYIQ

Design architecture and training strategies for domain-specific multimodal AI models that reason over molecular structures, assay data, protein structures, and scientific text — trained on Frontier’s proprietary data. Familar with self-supervised learning, and Mixture of experts (MoE) and Distributed training (DeepSpeed, FSDP)
Design and build multi-agent systems for scientific research workflows — supervisor/sub-agent orchestration, MCPs, task decomposition, tool calling, error recovery, and human-in-the-loop checkpoints that interface with internal systems (scientific databases, compound registries)
Develop and adapt generative molecular design approaches — diffusion models, autoregressive transformers, VAEs, reinforcement learning–guided generation — to explore and expand covalent compound libraries and novel chemical space.
Build multimodal RAG pipelines over structured data, slide decks, experimental reports, and images
Train, evaluate, and deploy deep learning models for molecular property prediction, virtual screening, ADMET modeling, and SAR analysis on Frontier’s covalent chemistry data.
Implement and benchmark molecular representations — GNNs, equivariant architectures, learned fingerprints — and build multi-task,transfer learning, and active learning approaches that leverage proprietary data for low-data regime predictions on active programs.
Deploy models into serving infrastructure that researchers and agents can query — endpoints, batch inference, monitoring — so predictions reach decisions.
Traits we believe make a strong candidate: B.Sc in computational or quantitative discipline such as computer science, data science, cheminformatics, computational chemistry or related field with 2-3 years industry experience.
Strong programming skills in Python and experience with coding tools.
Ability to work independently while thriving in a highly collaborative, cross-functional environment.
Excellent written and verbal communication skills.
Legally authorized to work in the United States.
Leveling Guidelines
Scientist I
Education & Experience: Bachelor’s degree with 2–3 years of relevant industry experience, or
PhD with at least 1 year of relevant industry experience
Demonstrated ability to independently or with limited guidance design and execute computational and AI approaches for drug discovery problems
Proven track record of contributing to complex analytical strategies and influencing discovery programs through data-driven insights
Ability to effectively collaborate with experts across disciplines and contribute to cross-functional team success

AI Cheminformatics Engineer I

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