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Generative AI Researcher - Atomistic Simulation Models

AchiraSan Francisco Office
On-site Full-time

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Key ResponsibilitiesCreate Conditional Molecular Generators: Develop small-molecule generators conditioned on specific properties or scaffolds using advanced generative modeling techniques. Design Efficient Sampling Pipelines: Establish sequential sampling processes that transition from learned priors to probability distributions defined by Achira’s machine learning potentials. Integrate Learning and Sampling: Innovate proposal mechanisms that adaptively adjust to enhance sampling efficiency and accuracy.

About the job

Join our innovative team at Achira, where we are pioneering the integration of probabilistic generative models with advanced simulation frameworks to revolutionize drug discovery. In this role, you will harness state-of-the-art techniques to accelerate molecular design and enhance biomolecular conformational sampling.

Why Choose Achira?

  • Become part of a highly skilled team of researchers, scientists, and engineers dedicated to merging probabilistic AI/ML with molecular simulation for transformative small molecule drug discovery.

  • Contribute to the development of cutting-edge architectures for 3D generation and proposal mechanisms that leverage physical insights.

  • Engage with large-scale models and datasets, utilizing high-throughput evaluation within a ML-optimized biomolecular simulation ecosystem.

  • Take ownership of your projects, from the initial conception of models to the design of sampling tools and applications.

  • Thrive in a dynamic culture that values speed, scientific rigor, and a sense of ownership.

Role Overview

As a Generative AI Researcher, you will be at the forefront of Achira's efforts to develop foundation simulation models and conditional generators tailored for molecular systems. Your expertise in designing probabilistic generative models, including diffusion models and normalizing flows, will be crucial in optimizing biomolecular simulation potentials. This position offers an opportunity to enhance the efficiency of small molecule generation and biomolecular landscape exploration.

A background in statistical mechanics, particularly nonequilibrium perspectives, will be beneficial, although the primary focus will be on probabilistic AI/ML methodologies.

About Achira

Achira is at the cutting edge of drug discovery, leveraging advanced AI methodologies and molecular simulation to redefine how small molecules are designed and developed. Our commitment to innovation and scientific excellence drives our mission to accelerate drug discovery processes.

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