Director of Computational Chemistry
1 day ago
About the Role:
X4 Life Sciences is seeking a visionary Director of Computational Chemistry to spearhead the development and application of cutting-edge computational methods in drug discovery. This leader will drive the creation of innovative software infrastructure and workflows that accelerate our discovery efforts.
Key Responsibilities:
- Strategic Leadership: Oversee the development of computational strategies that align with our company's goals and objectives.
- Algorithm Development: Implement and scale advanced physics-based methods and machine learning algorithms to optimize our drug discovery pipeline.
- Collaboration: Foster strong relationships with multidisciplinary teams to understand computational challenges and implement tailored solutions.
- Software Engineering Excellence: Ensure that all code developed is scalable, extensible, and portable, and that software engineering best practices are consistently applied.
- Scientific Innovation: Stay at the forefront of scientific and computational trends, identifying new approaches that can be integrated into our platform to enhance our drug discovery capabilities.
- High-Performance Computing: Oversee the management of high-performance computing clusters, ensuring efficient use of resources and implementation of parallel programming techniques.
Requirements:
- Molecular Modeling Expertise: Extensive experience in molecular modeling and molecular dynamics techniques, with proficiency in tools such as AMBER or OpenMM.
- Advanced Computational Knowledge: Strong foundation in scientific algorithm development using frameworks such as PyTorch, JAX, etc., with a focus on physics-based methods.
- Software Development Experience: Proficient in Python and C/C++, with a deep understanding of scientific software engineering best practices.
- Parallel Programming & HPC: Experience in parallel computing with MPI, OpenMP, OpenACC, CUDA C/C++/Fortran, and managing HPC clusters (both CPU and GPU-based).
- Workflow Management: Familiarity with workflow frameworks like pySLURM or equivalent HPC job scheduling systems.
- Containerization: Proficient in using and deploying containers in scientific computing environments.
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Director of Computational Chemistry
1 day ago
San Diego, California, United States X4 Life Sciences Full timeAbout the Role:X4 Life Sciences is seeking a visionary Director of Computational Chemistry to spearhead the development and application of cutting-edge algorithms and machine learning techniques in drug discovery. This leader will drive the creation of sophisticated software infrastructure to overcome critical bottlenecks in drug design.Key...
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