Roche
Computational Chemist - Generative Molecule & Protein Design
Santa Clara
Sponsorship not specified$145k-$270kDetected 9 days ago
PythonMachine LearningPyTorchPandasNumPyNLPLLMsResearchThermodynamics
About the role
- To continuously advance science and ensure everyone has access to the healthcare they need today and for generations to come.
- Creating a world where we all have more time with the people we love.
- As part of our Computational Science & Informatics Chapter, you will sit at the intersection of computational chemistry, structural biology, and applied AI to directly impact real-world commercial instruments and R&D workflows.
Responsibilities
- Build and run structure-based and ligand-based virtual screening workflows to find new substrates, cofactors, and small molecules for our sequencing and biocatalysis platforms.
- Perform advanced structural modeling and molecular docking simulations on natural and engineered enzyme variants, with a heavy focus on optimizing multi-ligand binding pathways.
- Lead in silico de novo enzyme design, creating novel protein scaffolds and active sites tailored for multi-ligand binding, optimal catalysis, and enhanced structural stability.
- Develop and scale generative workflows (including Transformers, GNNs, and diffusion models) for property-guided molecule generation and Computer-Aided Synthesis Planning (CASP).
- Partner closely with experimental wet-lab biochemists, protein engineers, and synthetic chemists to turn computational insights into real-world experiments.
- Drive Molecular & Protein Design: Build and run structure-based and ligand-based virtual screening workflows to find new substrates, cofactors, and small molecules for our sequencing and biocatalysis platforms.
- Enzyme Modeling & De Novo Design: Perform advanced structural modeling and molecular docking simulations on natural and engineered enzyme variants, with a heavy focus on optimizing multi-ligand binding pathways.
- Advance Generative AI Pipelines: Develop and scale generative workflows (including Transformers, GNNs, and diffusion models) for property-guided molecule generation and Computer-Aided Synthesis Planning (CASP).
- Collaborate for Impact: Partner closely with experimental wet-lab biochemists, protein engineers, and synthetic chemists to turn computational insights into real-world experiments.
- A healthier future drives us to innovate.
Requirements
- You have a a Ph.D.
- You have hands-on experience with docking tools, molecular dynamics packages (such as GROMACS, AMBER, or OpenMM), and quantum chemistry tools.
- You have a strong grasp of enzyme kinetics, binding thermodynamics, transition-state theory, and how synthetic modifications alter macromolecular structures.
- At Roche you can show up as yourself, embraced for the unique qualities you bring.
Skills
- The expected salary range for this position is based on the primary location of Santa Clara, CA is $145,300 - $269,800 Annual.
- Actual pay will be determined based on experience, qualifications, geographic location, and other job-related factors permitted by law.
- A discretionary annual bonus may be available based on individual and Company performance.
- This position also qualifies for the benefits detailed here: Benefits
- Relocation benefits are not available for this position
Compensation
- The expected salary range for this position is based on the primary location of Santa Clara, CA is $145,300 - $269,800 Annual.
Benefits
- 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.
- 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.
Company info
- Our efforts result in more than 26 million people treated with our medicines and over 30 billion tests conducted using our Diagnostics products.
- Roche is an equal opportunity employer.
- It is our policy and practice to employ, promote, and otherwise treat any and all employees and applicants on the basis of merit, qualifications, and competence.
- The company's policy prohibits unlawful discrimination, including but not limited to, discrimination on the basis of Protected Veteran status, individuals with disabilities status, and consistent with all federal, state, or local laws.
- If you have a disability and need an accommodation in relation to the online application process, please contact us by completing this form Accommodations for Applicants.
- At Roche Sequencing Solutions, we are building the next generation of sequencing and diagnostic platforms powered by advanced computation and AI.
Equal opportunity
- equal opportunity employer.
- If you have a disability and need an accommodation in relation to the online
This listing is sourced directly from Roche's careers page and normalized into a canonical job model.