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Head of Machine Learning Research

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Job

  • Level
    Lead
  • Ort
    Berlin
  • Arbeitsmodell
    Onsite
  • Job Feld
    Data, Application
  • Anstellung
    Vollzeit
  • Vertragsart
    Unbefristetes Dienstverhältnis
  • Gehalt
    129.700 bis 163.800€ Brutto/Jahr

Job Zusammenfassung

In dieser Rolle entwickelst du innovative AI/ML-Modelle zur Optimierung von Molekülen bei der Arzneimittelentdeckung und leitest ein Team von 25 Experten, um die Effizienz und Entscheidungsfähigkeit zu steigern.

Job Technologien

Deine Rolle im Team

  • We are seeking a scientific and technical leader to make AI & machine learning central to how we design and optimize molecules across our discovery portfolio.
  • You will sit on the Data Science & AI leadership team and be accountable for the models, platforms, and ways of working that shorten design-make-test-analyze cycles and raise our probability of delivering high-quality candidates.
  • This is a hands-on strategy role, not research-only or delivery-only.
  • You will set a multi-year technical roadmap, build and lead a team of 25, and be measured by whether project teams make better decisions and reach candidate faster because of the capabilities you build.
  • It demands fluency in both modern AI/ML and the medicinal chemistry and structural biology realities of drug discovery - expect to spend as much time in project reviews as in model architecture discussions.
  • You define and deliver an AI/ML molecular design strategy aligned with current and future Drug Discovery priorities.
  • You make rigorous build/buy/partner decisions for generative design, property prediction, structure-based ML, synthesis planning, foundation models, and external platforms.
  • You establish robust model-validation standards, including prospective benchmarking, uncertainty quantification, applicability domains, reproducibility, and transparent reporting of limitations.
  • You monitor the external AI/ML landscape, identify disruptive developments early, and secure access to best-in-class capabilities.
  • You embed ML into live discovery programs by partnering closely with medicinal chemistry, computational design, structural biology, biophysics, screening, DMPK, safety, and Drug Discovery Sciences.
  • You co-own program outcomes from hit identification through candidate nomination, optimizing potency, selectivity, ADMET, developability, synthetic feasibility, and IP position.
  • You lead development of core platforms for ADMET/property prediction, generative and de novo design, retrosynthesis, synthetic accessibility, co-folding, pose prediction, docking rescoring, and ML-accelerated free-energy methods.
  • You build a scalable data and MLOps foundation with curated and harmonized assay, structural, and DMTA data; ensuring provenance, feedback capture, versioning, monitoring, documentation, and reproducibility.
  • You lead and develop a high-performing interdisciplinary organization; managing strategic investments and external partnerships while fostering scientific excellence, collaboration, and measurable portfolio value.

Unsere Erwartungen an dich

Qualifikationen

  • You hold a PhD in computational chemistry, cheminformatics, structural biology, biophysics, computer science, or a related field, with demonstrated depth in both molecular science and machine learning.
  • You possess deep, current expertise in ML for molecules: graph neural networks, transformers, generative methods (diffusion, flow matching, autoregressive), Bayesian optimization and active learning, transfer learning on sparse assay data, and uncertainty quantification.
  • You have a working command of the discovery domain: SAR interpretation, multi-parameter optimization, ADMET and developability, protein structure and ligand binding, docking and free energy methods.
  • You demonstrate impact on real programs, with advanced molecules, cycles shortened, and decisions changed, a publication record alone is not sufficient.
  • You have the credibility to partner with medicinal chemists and structural biologists as a scientific peer, and to challenge and be challenged on design decisions.
  • You have a track record of delivering models and software into production use by scientists, not just prototypes.
  • You maintain a strong external profile: publications, conference presence, or leadership in precompetitive consortia.
  • You speak English fluently.

Erfahrung

  • Exceptional MSc candidates with equivalent experience will be considered.
  • You bring extensive relevant experience, including strong exposure to leading technical teams; experience leading leaders is strongly preferred.
  • You have experience in a large matrixed pharma R&D organization, or scaling a capability from startup to enterprise.
  • You bring experience beyond conventional small molecules: PROTACs and molecular glues, macrocycles, peptides, covalent inhibitors, or oligonucleotides.

Unser Angebot

  • Our benefits package is flexible, appreciative, and tailored to your lifestyle, because: What matters to you, matters to us!
  • We ensure your financial stability with a competitive salary between 129.700€ and 163.800€ per year (full-time) plus a variable component and a global equity-based cash plan.
  • Your compensation is based on your qualifications, skills, and professional experience.
  • Your family is a top priority.
  • We offer loving company daycare centers at multiple locations, support in finding childcare, time off for the care of elderly or dependent family members, summer camps for children, and much more.
  • We support your professional growth by providing access to learning and development opportunities, training programs through the Bayer Learning Academy, development dialogues, as well as coaching and mentoring programs.
  • We promote health awareness and opportunities for selfcare through various measures, such as free health checks with the company doctor.
  • We embrace diversity by providing an inclusive work environment in which you are welcomed, supported, and encouraged to bring your whole self to work.

Benefits

Work-Life-Integration

Gesundheit, Fitness & Fun

Mehr Netto

Themen mit denen du dich im Job beschäftigst

Job Standorte

  • Standort Berlin

    Deutschland

Das ist dein Arbeitgeber

Bayer AG

Bayer AG

Die Bayer AG ist ein international agierendes Unternehmen, das sich auf die Bereiche Gesundheit und Ernährung spezialisiert hat. Unser Fokus liegt auf der Entwicklung von Produkten und Dienstleistungen, um den Menschen und dem Planeten Gutes zu tun. Gemeinsam arbeiten wir an Lösungen, um den globalen Herausforderungen einer wachsenden und alternden Weltbevölkerung gerecht zu werden.

Description

  • Unternehmenstyp
    Etablierte Firma
  • Arbeitsmodell
    Full Remote, Hybrid, Onsite
  • Branche
    Pharma, Chemie, Biotech
Logo Bayer AG

Head of Machine Learning Research

Gehalt
129.700 bis 163.800€ Brutto/JahrNetto aus dem Bruttogehalt im Inserat mit Steuerklasse I umgerechnet.73.686 bis 92.536 € netto/Jahr · Steuerklasse I
Ort
Berlin
Arbeitsmodell
Onsite
Diversität
Für alle Personen geeignet (m/w/d)
Nur Englisch
Nur Englisch erforderlich

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