Recruit Detail
Find out more about the work we do, the experience and skills we can bring to the table, and our terms and conditions.
Company Name
Preferred Networks, Inc.
Job Type
Drug Discovery Researcher
Work Detail
Preferred Networks (PFN) is seeking researchers for its Drug Discovery division. Computational science in drug discovery is advancing rapidly, with applications progressing in areas such as identifying biomolecules that can be drug targets, predicting their structure and function, and designing, searching for, and optimizing drug candidate molecules (predicting pharmacological activity, toxicity, and kinetics). PFN's Drug Discovery team provides pharmaceutical companies with services that highly integrate cutting-edge technologies, including the P-FEP binding free energy calculation service, with domain knowledge in the drug discovery field. Currently, we are further expanding this proven technological foundation, aiming to build a comprehensive drug discovery platform that consistently covers a wider range of drug discovery processes. Our team is seeking members to develop new technologies that can solve challenges in the drug discovery field. We are seeking professionals who resonate with PFN's mission and values [https://tech.preferred.jp/ja/blog/2025-mission-values/](https://tech.preferred.jp/ja/blog/2025-mission-values/), possess exceptional technical skills to implement cutting-edge theories and "make the real world computable," and have the passion to take initiative (Be Proactive). Team Mission - To contribute to people's health by supporting the creation of innovative medicines using cutting-edge computational science. Job Description - Research and development and commercialization of new technologies in the drug discovery field. - You will be responsible for designing and implementing innovative algorithms that go beyond mere software use. - You will be responsible for various fields, primarily those listed in the application qualifications (required). - Collaborative research with other institutions (pharmaceutical companies, academia, etc.). - Research on the latest research papers and acquisition and implementation of algorithms. - Collaboration with other teams within the company. References - Some of the research and development conducted by PFN to date. - Drug Discovery HP: [https://projects.preferred.jp/drug-discovery/](https://projects.preferred.jp/drug-discovery/) (Content is somewhat outdated) - Technical Blog: [https://tech.preferred.jp/ja/tag/drug-discovery/](https://tech.preferred.jp/ja/tag/drug-discovery/) - Related Keywords - Neural Network Potential - Machine Learning Interatomic Potential - Protein Folding, Structure-aware prediction - ADMET prediction - AI molecular generation - Computational chemistry and molecular simulation - Molecular docking - Molecular dynamics (extended sampling MD, Free Energy Perturbation, etc.) - Structure-based drug design (SBDD) - Ligand-based drug design (LBDD) - Chemoinformatics We are hiring a Researcher to drive Preferred Networks' (PFN) Drug Discovery initiatives. The advancements in computational science in drug discovery have been remarkable, and its applications are expanding across fields ranging from the identification of biomolecular drug targets and the prediction of their structures and functions to the design, exploration, and optimization of drug candidate molecules (including predictions for pharmacological activity, toxicity, and pharmacokinetics). The PFN Drug Discovery team provides pharmaceutical companies with solutions, such as the binding free energy calculation service P-FEP, that integrate advanced computational methodologies with deep domain expertise. We are currently building on these core technologies to create a comprehensive "Drug Discovery Platform" – an end-to-end solution aimed to accelerate a wider range of processes in the drug discovery workflow. We are recruiting a researcher to lead the research and development of novel technologies that address critical challenges in drug discovery. We seek a professional who deeply resonates with our Mission and Values [(https://tech.preferred.jp/ja/blog/2025-mission-values/) ](https://tech.preferred.jp/ja/blog/2025-mission-values/) and possesses the exceptional engineering capability to implement cutting-edge theory into robust software. Team Mission - Contribute to human health by facilitating the creation of innovative medicines using cutting-edge computational science. Responsibilities - Conduct research, development, and productization of new technologies in the drug discovery field - Design and implement innovative algorithms, rather than applying existing software. - Work primarily on the areas specified in the Qualifications, while also handling a variety of other areas - Conduct collaborative research with external institutions - Survey the latest research papers, and master and implement algorithms - Collaborate with other teams within the company Additional Information - Introduction to our research - Drug Discovery HP:[https://projects.preferred.jp/drug-discovery/](https://projects.preferred.jp/drug-discovery/)(old) - Technical Blog:[https://tech.preferred.jp/ja/tag/drug-discovery/](https://tech.preferred.jp/ja/tag/drug-discovery/) - Keywords related to our activities - Neural Network Potential / Machine Learning Interatomic Potential - Protein Folding, Structure-aware prediction - ADMET Prediction - AI-driven Molecular Design - Computational Chemistry, Molecular Simulation -Molecular Docking - Molecular Dynamics (e.g., Enhanced Sampling MD, Free Energy Perturbation) - Structure-Based Drug Design (SBDD) - Ligand-Based Drug Design (LBDD) - Chemoinformatics
Ideal Profile
Qualifications (Required) - Expertise in the field of Drug Discovery (deep knowledge and experience in at least one of the following areas): - Molecular dynamics simulation (high-accuracy activity prediction technologies such as FEP): - Neural Network Potential (NNP) / Machine Learning Interatomic Potential (MLIP): - Protein folding / Structure-aware prediction: - Software development skills: - Ability to independently design and implement complex algorithms and theories using Python, etc.: - Ability to understand computer architecture and implement programs that are mindful of software execution efficiency and computational load: - Experience using and controlling computing resources (GPU/large cluster, etc.) in a Unix/Linux environment: - Expertise and deep experience in at least one of the following areas: - Molecular dynamics simulation (e.g., high-accuracy affinity prediction technologies such as Free energy perturbation): - Neural Network Potential (NNP) / Machine Learning Interatomic Potential (MLIP): - Protein folding or Structure-aware prediction: - Software development skills: - Ability to independently design and implement complex algorithms and Theories using Python - Ability to implement efficient programs with an awareness of computer architecture and computational complexity - Experience utilizing high-performance computing resources in a Unix/Linux environment. Preferred Qualifications - Practical experience in the pharmaceutical or chemical industry (preferably 3+ years) - In-depth knowledge and experience in quantum chemistry, especially for QM/MM calculations - Implementation experience in the field of Machine Learning and Deep Learning (AI)
Work Location
Otemachi Bldg., 1-6-1 Otemachi, Chiyoda-ku, Tokyo, Japan 100-0004 Remote work system available (limited to work in Japan)
Phd. Stating Salary
Compensation will be determined based on experience, performance, abilities, and contributions, in accordance with company regulations.