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Structure Therapeutics develops life‐changing medicines for patients using advanced structure‐based and computational drug discovery technology. The company’s platform combines the latest advancements in visualization of molecular interactions, computational chemistry, and data integration to design orally available, superior small molecule medicines that overcome current limitations of biologic and peptide drugs. We are advancing a clinical‐stage pipeline of differentiated treatments focused on chronic diseases with high unmet need, including cardiovascular, metabolic, and pulmonary conditions.

Structure Therapeutics is led by an experienced group of international drug innovators and financed by top-tier global life sciences investors. The company has completed an initial public offering (IPO) in February of 2023. With offices in California and Shanghai, Structure Therapeutics has the benefit of being at the center of life science innovation in both the US and China and capitalizing on the strengths of each geographic location.

Position Summary

This is an exciting and exceptional opportunity to participate in cutting-edge science using unique GPCR structural data whilst making significant contributions to the industry-leading Drug Discovery R&D. The CADD and Data Science team uses state-of-the-art computational techniques and workflows to support and drive discovery projects from early exploratory stage to clinical candidate stage working closely with chemistry, structural biology/molecular interactions, and pharmacology/biology teams.

Within this interdisciplinary environment, you will be responsible for ensuring the team has access to the right ecosystem and therefore is able to develop and deploy bespoke tools and workflows for GPCR SBDD and data science endeavors. Please apply if you feel passionate about joining our team where scientific excellence and passion combine in a friendly fun environment to impact drug discovery projects and create/customize new cutting-edge approaches.

KEY RESPONSIBILITIES

• Automate frequently used scientific workflows, implement and customize methods described in scientific publications or developed in-house.
• Set up, test and benchmark established computational chemistry/cheminformatics tools and workflows
• Collaborate with team members by providing bespoke scripts that are optimized for the use cases.
• Assist with the implementation of scientific proofs of concept
• Ensure best code, cloud and workflow practices in the team.
• liaise with the IT department and software vendors' support desks

Examples of activities include:

• Support the development and deployment of computational models and approaches (QSAR/ML/AI, 2D/3D) to enable small-molecule data analysis and property prediction (e.g. physical-chemical, ADME, bioactivity)
• Work with CADD/Data Science and Medicinal Chemistry teams on the implementation of predictive tools to enable integrated, collaborative Structure-Design-Make-Test-Analyse (S-DMTA) cycles in Discovery projects.
• Support the development and implementation of GPCR SBDD customised Cheminformatics/AI technologies with the CADD/Data Science team, including e.g. generative, synthon-based, and ML approaches to handle ultra-large chemical libraries for virtual screening, and state-of-the art physics-based CADD approaches (e.g. ABFE, RBFE).
• Support the development and implementation of cheminformatics tools/resources and AI/ML/computational technologies to enable chemical library design and screening data analysis (e.g. DEL, MS) with the CADD/Data Science and Molecular Interaction teams.
• Patent and bioactivity/ADME data mining, ensuring access to the most recent and relevant data.
• Customization and integration of tools and workflows in LiveDesign

QUALIFICATIONS:

For this role we are looking for a candidate with a Master’s or PhD degree (or equivalent) in a scientific or life sciences discipline with:

• Strong coding/scripting expertise in Python (>6 years), and in at least another programming language, adhering to Coding Best Practices
• Deep experience with RDKit or other cheminformatics libraries (>4 years)
• Extensive Linux expertise (>6 years), including experience in installation of libraries and applications for the use in workflows, and set up of workload managers
• Experience with deploying CADD models, tools, and workflows in cloud-based, collaborative informatics platforms like LiveDesign or Orion
• Experience with customizing virtual ligand screening workflows in collaboration with CADD team members
• Experience with workflow tools like KNIME or Pipeline Pilot
• Knowledge of cloud computing, experience with AWS, GCP, or Azure
• Experience with databases and query languages like SQL
• Thorough understanding of chemical structures and at least a basic understanding of biological concepts, and drug discovery data (e.g. ADMET) (or willingness and aptitude to learn them quickly)
• Advanced analytical and critical problem-solving skills, combined with scientific creativity and a proactive, positive can-do attitude
• Rigorous, organised and well-structured mind, with great attention to details
• Strong team player with an inclusive, pro-active and positive can-do mindset that is willing to listen, learn and share with/from others
• Excellent interpersonal, oral and written communication skills: you will need to be able to communicate effectively with team members having diverse professional backgrounds

The following skills would be a plus:

• Experience working in a pharma/biotech industry environment
• Experience with MLops, such as MLflow, Sagemaker, weights and biases, or others
• Experience with parallel computing libraries, such as Dask, Spark or Ray
• Experience using LLMs (e.g. ChatGPT) in a biotech setting