Overview

AI|ffinity s.r.o. is seeking a talented and enthusiastic Cheminformatician to join our scientific team. We are developing an integrated NMR-AI platform with applications in drug discovery and protein engineering. Please no recruiters or agencies.

Job Type:

  • Hybrid, full-time position (FTE 1.0) with a flexible working schedule. Requires residency in Czechia; candidates not currently residing in Czechia must be willing to relocate.
  • The job can be conducted remotely, but occasional commuting to our offices in either Prague or Brno is required.
  • Offered as an employment contract; not available for consultants.
  • Gross salary between 60,000 and 75,000 Kč, based on the candidate’s skills and qualifications. Salary is above the average for postdocs and research associates in Czech academia (reference to be provided soon).
  • Annual salary increases commensurate with the candidate’s evolving expertise and professional development
  • This position is initially for a period of two years, with the possibility of extension.

About the Company:

AI|ffinity was founded in late 2021 as a spin-off of Masaryk University, with support from the Central European Institute of Technology (CEITEC) in Brno. The company has developed a unique technology platform that integrates NMR, AI, and Cheminformatics to advance drug discovery and protein engineering. The company excels in hit discovery and hit-to-lead processes, with a strong focus on the structural characterization and mapping of protein-molecule interactions. By leveraging 1D NMR data, AI|ffinity characterizes protein-ligand interactions, enabling the discovery and optimization of new binders. This innovative NMR-AI platform not only accelerates drug discovery but also enhances success rates and reduces costs. With headquarters in Brno, Czech Republic, and additional facilities in Prague, AI|ffinity stands at the forefront of scientific innovation.

Learn more at www.aiffinity.com.

Responsibilities:

The successful candidate will be an integral part of a dynamic, multidisciplinary team at the intersection of Cheminformatics, Artificial Intelligence, and NMR for innovative drug design. This role involves:

  • Contributing to the development of AI|ffinity’s integrated NMR-AI platform, with a focus on virtual screening, hit discovery, and lead optimization. This task includes developing innovative software solutions that leverage 1D NMR data to enhance algorithm performance.
  • Providing computational and modeling support for drug discovery projects by applying AI|ffinity’s platform and other computer-aided drug design techniques to identify and develop small molecules in collaboration with industrial partners.
  • Developing processes and customizable workflows that can be adapted across the drug discovery portfolio.
  • Assisting in the setup and maintenance of the company’s IT infrastructure, including PCs, computer clusters, and cloud environments.
  • Actively participating in team meetings and consultations with senior scientific advisors to discuss project progress, explore new developments, and strategize future tasks to achieve company and client objectives.
  • Mentoring PhD students. Contributing to publication and grant writing.

General Requirements:

  • PhD in Cheminformatics, Computational Chemistry, Molecular Modelling, or a closely related field with solid background in medicinal chemistry.
  • Experience with UNIX OS. Experience with querying and integrating data from various sources (e.g., SQL, NoSQL, graph, REST, flat files) and using modern data processing and analysis techniques.
  • Strong programming skills in Python, with expertise in libraries such as pandas, machine learning (scikit-learn), and deep learning frameworks (e.g., TensorFlow, PyTorch). Familiarity with the RDKit cheminformatics toolkit.
  • Knowledge of version control systems (e.g., Git and GitHub) and high-performance computing infrastructure.
  • Extensive practical experience in computer-aided drug design, such as compound library design, similarity and substructure searching, docking, virtual screening, reaction enumeration, molecular fragmentation, structure-based drug design, pharmacophore modeling, QSAR, R-group analysis, and combinatorics, multi-parameter optimization, etc.
  • Experience with a range of cheminformatics and computational chemistry software such as Schrödinger DD suite, KNIME, ChemAxon tools, etc.
  • Experience in data science and statistical methods applied to the analysis of highly multidimensional or unstructured datasets from a range of data sources, e.g., ChEMBL and PubChem.
  • Proven track record of publishing relevant research in peer-reviewed journals, conferences, or code contributions to open-source projects.
  • Basic knowledge of NMR will certainly be advantageous.
  • Very good command of the English language (B2 level or higher).
  • Excellent communicator with the ability to effectively contribute to multi-disciplinary scientific teams.
  • A strong team player with enthusiasm, a positive attitude, creativity, and a great sense of humor!

Application Process:

Candidates are requested to provide two letters of recommendation from previous employers, which should be sent directly to Thomas Evangelidis at tevang@aiffinity.com. Along with these, applicants should include a letter of intent detailing their reasons for applying for this position, as well as a link to their GitHub account showcasing any previous open-source projects, if available.

Related Jobs