Computational chemists & biologists Work, Jobs in Knebworth, Hrt (with Salaries)

Machine Learning Scientist - Quantum Chemistry
Roche —Welwyn
- Hybrid work
- Doctoral degree
- Machine learning
- Travel
Scientist
Genomics —London
- Full-time
- Hybrid work
- Machine learning
- Python
- Annual leave
Feasibility Informatics Analyst
Medpace, Inc. —London
- Full-time
- Computer Science
- Engineering
- Master's degree
- Annual leave
Software Developer - Biology
Helical —London
- Full-time
- Hybrid work
- Azure
- Doctoral degree
- Master's degree
Quick apply
Bioinformatics Data Scientist
Engitix —London
- AWS
- Machine learning
- Scripting
Quick apply
10d
Sr Programmer-Sr Data Scientist/Analys Real-World Data (SAS/R)
サイネオス・ヘルス —London
- £80,600 - £175,700 a year
- English
- Bachelor's degree
- No degree
- Employee stock purchase plan
- Annual leave
Senior Director, Translational Genetics
GlaxoSmithKline —Stevenage
- £207,075 - £345,125 a year
- Full-time
- Management
- Doctoral degree
- Machine learning
- Annual leave
10d
Research Associate in AI-enhanced Molecular Dynamics to Study Antibiotic Accumulation in Bacteria
Imperial College London —White City
- £49,017 - £57,472 a year
- Full-time
- Doctoral degree
- University
- Machine learning
Senior Biostatistician
Everest Clinical Research —Croxley Green
- Remote
- Doctoral degree
- Master's degree
- Project management
- Work from home
Quick apply
AI Scientist
Mater-AI Limited —London
- £50,000 - £55,000 a year
- Full-time
- Hybrid work
- Doctoral degree
- Engineering
- English
Quick apply
11d
Associate Director, Statistical Programming
Novartis —London
- £67,900 - £126,100 a year
- Full-time
- Hybrid work
- Nursing
- Computer Science
- Organisational skills
Career Development Fellow
UK Research and Innovation (UKRI) —London
- £42,694 a year
- Weekend availability
- Doctoral degree
- Computer Science
- Bachelor's degree
3d
Sr Programmer Sr Data Scientist/Analyst OMOP (NA & UK Only)
サイネオス・ヘルス —London
- Master's degree
- SQL
- Machine learning
- Employee stock purchase plan
- Annual leave
R Statistical Programmer - Submission Experience Required (hiring in Armenia, UK, India, SA)
サイネオス・ヘルス —London
- English
- Bachelor's degree
- No degree
Senior Scientist
Genomics —London
- Full-time
- Hybrid work
- Python
- Annual leave
Principal Statistician Oncology with Submission Experience
サイネオス・ヘルス —London
- Doctoral degree
- English
- Travel
Research Fellow in Machine Learning for Self-Optimising Bioprocesses
University College London —London
- £43,981 - £52,586 a year
- Full-time
- Doctoral degree
- Machine learning
- Communication skills
8d
Senior Bioinformatician (Oncology)
Tagomics —Cambridge
- Full-time
- Hybrid work
- Doctoral degree
- Data analysis skills
- AWS
Quick apply
14d
Senior Principal Scientist / Director – Computational Chemistry (IDD)
Pharmaron —Hoddesdon
- Remote
- Doctoral degree
- AI
- Leadership
Senior Principal Statistical Programmer
Novartis —London
- £49,140 - £91,260 a year
- Full-time
- Hybrid work
- Computer Science
- Master's degree
- Bachelor's degree

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Machine Learning Scientist - Quantum Chemistry

Roche -
Welwyn

Apply Now

Job details

Qualifications

Doctoral degree
PyTorch
Machine learning
Software development
GitHub
GitLab
Python

Full job description

At Roche you can show up as yourself, embraced for the unique qualities you bring. Our culture encourages personal expression, open dialogue, and genuine connections, where you are valued, accepted and respected for who you are, allowing you to thrive both personally and professionally. This is how we aim to prevent, stop and cure diseases and ensure everyone has access to healthcare today and for generations to come. Join Roche, where every voice matters.

The Position

Join the small-molecule team within AI for Drug Discovery (AI4DD), formerly Prescient Design, at Roche and Genentech’s Computational Sciences Center of Excellence as a Machine Learning Scientist / Senior Machine Learning Scientist in Quantum Chemistry. You will combine machine learning methods and quantum chemistry to build fast, accurate models that power small-molecule drug discovery. You will work with world-class computational and experimental scientists and leverage proprietary datasets and state-of-the-art compute.

The Opportunity

Create cutting-edge solutionsthat combine quantum chemistry and machine learning algorithm development to model small-molecule energetics and protein–ligand interactions, from conformation and reactivity to binding affinity and free energy.
Build synthetic datasets using quantum mechanicsand related methods to shape novel research directions in ML.
Develop deployable pipelinesthat are robust, scalable and reproducible, and feed directly into molecular-design tools used across Roche.
Drive scientific impact through publications, open-source releases, and talks at internal and external conferences.
Collaborate widelywith world-class computational and experimental researchers at Roche and with academic partners.

Who you are

You bring deep machine-learning expertise with a strong theoretical foundation in linear algebra, probability and optimization, and you build models from first principles.
You have hands-on quantum chemistry experience and fluency in toolkits such as Psi4, PySCF and ORCA, as well as semi-empirical methods like xTB.
You are fluent in Python and modern ML frameworks such as PyTorch or JAX.
You hold a PhD or equivalent research depth in machine learning, computational chemistry, chemical engineering or a related quantitative field such as physics or statistics.
You have a record of scientific excellence evidenced by journal and conference publications or a public portfolio of relevant projects (e.g. hosted on GitHub/GitLab).

Preferred

Experience in scientific software development, scaling ML training, and applying models to drug discovery.
Experience generating large-scale synthetic datasets.

Location& Travel Requirements

This position must be based in either Welwyn Garden City in the United Kingdom (preferred) or Basel, Switzerland. Although this can be a hybrid role, there is an expectation of ongoing and sustained site presence, in compliance with local company site requirements.

If building physics-grounded machine learning models that bring better medicines to patients faster is your calling, apply now and help shape the future of small-molecule drug discovery.

#ComputationCoE
#tech4lifeComputationalScience
#tech4lifeAI

Where pay transparency applies, details are provided based on the primary posting location. For this role, the primary location is Welwyn. If you are interested in additional locations where the role may be available, we will provide the relevant compensation details later in the hiring process.

Who we are

A healthier future drives us to innovate. Together, more than 100’000 employees across the globe are dedicated to advance science, ensuring everyone has access to healthcare today and for generations to come. Our efforts result in more than 26 million people treated with our medicines and over 30 billion tests conducted using our Diagnostics products. We empower each other to explore new possibilities, foster creativity, and keep our ambitions high, so we can deliver life-changing healthcare solutions that make a global impact.

Let’s build a healthier future, together.

The statements herein are intended to describe the general nature and level of work being performed by employees, and are not to be construed as an exhaustive list of responsibilities, duties, and skills required of personnel so classified. Furthermore, they do not establish a contract for employment and are subject to change at the discretion of Roche Products Ltd. At Roche Products we believe diversity drives innovation and we are committed to building a diverse and flexible working environment. All qualified applicants will receive consideration for employment without regard to race, religion or belief, sex, gender reassignment, sexual orientation, marriage and civil partnership, pregnancy and maternity, disability or age. We recognise the importance of flexible working and will review all applicants’ requests with care. At Roche difference is valued and we are proud to be an equal opportunity employer where you are encouraged to bring your whole self to work.

Apply Now

Refine Your Search

computational chemists & biologists jobs in knebworth, hrt

Machine Learning Scientist - Quantum Chemistry

Scientist

Feasibility Informatics Analyst

Software Developer - Biology

Bioinformatics Data Scientist

Sr Programmer-Sr Data Scientist/Analys Real-World Data (SAS/R)

Senior Director, Translational Genetics

Research Associate in AI-enhanced Molecular Dynamics to Study Antibiotic Accumulation in Bacteria

Senior Biostatistician

AI Scientist

Associate Director, Statistical Programming

Career Development Fellow

Sr Programmer Sr Data Scientist/Analyst OMOP (NA & UK Only)

R Statistical Programmer - Submission Experience Required (hiring in Armenia, UK, India, SA)

Senior Scientist

Principal Statistician Oncology with Submission Experience

Research Fellow in Machine Learning for Self-Optimising Bioprocesses

Senior Bioinformatician (Oncology)

Senior Principal Scientist / Director – Computational Chemistry (IDD)

Senior Principal Statistical Programmer

I want to receive the latest job alerts for computational chemists & biologists in knebworth, hrt

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