Cheminformatics Engineer
Quantori is a young company with a long history. We have over twenty years' experience in developing software for the pharmaceutical industry and driving advanced strategies in the world of Big Data revolution. We are seeking a skilled and motivated Cheminformatics to join our dynamic team at Quantori.
Location:
Quantori is an international team: we have colleagues who work not only from office but also remotely from all over the world.
Responsibilities:
- Develop, optimize, and maintain pipelines for molecular data transformations, ensuring accuracy and efficiency.
- Design and implement algorithms for structure standardization, canonicalization, and format conversions (e.g., SMILES, InChI, SDF, MOL, etc.).
- Integrate and manage large-scale molecular datasets from various sources, ensuring interoperability.
- Work with chemical databases (e.g., ChEMBL, PubChem, internal proprietary databases) and develop efficient query and retrieval mechanisms.
- Collaborate with data scientists, computational chemists, and software engineers to streamline molecular data workflows.
- Implement data validation, error-checking, and consistency mechanisms to maintain high data quality.
- Contribute to the development of cheminformatics APIs and software solutions for seamless data exchange.
- Stay up to date with industry standards and emerging technologies in cheminformatics and molecular informatics.
What we expect:
- Bachelor’s, Master’s or Ph.D. in Cheminformatics, Computational Chemistry, Bioinformatics, Medicinal Chemistry, Computer Science, or a related field.
- Strong foundation in drug discovery, drug design, computational chemistry, bioinformatics, cheminformatics, structural chemistry etc.
- Expertise in cheminformatics algorithms, molecular similarity, substructure searching, and fingerprinting techniques.
- Machine learning & AI applied to cheminformatics (e.g., deep learning for drug discovery).
- Knowledge of QSAR/QSPR modeling, docking, molecular dynamics simulations.
- Proficiency in chemical data parsing, normalization, and standardization.
- Experience with high-performance computing (HPC) and cloud-based cheminformatics workflows.
Nice to have:
- Experience with machine learning and AI-driven molecular property predictions.
- Familiarity with high-performance computing (HPC) environments for large-scale molecular data processing.
- Background in drug discovery, computational chemistry, or bioinformatics.
- Prior experience in API development and microservices architectures for cheminformatics applications.
We offer:
- Competitive compensation
- Remote or office work
- Duration: 3 months with possible prolongation
- Flexible working hours
- A team with an excellent tech expertise
If you don't see an open position that suits your skills stack and/or professional background but you are interested in working with us — please send your CV to career@quantori.com. We will try to find something special and interesting for you!