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 Data Engineer with Cheminformatics experience 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.

Key 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.

Qualifications:

Bachelor's, Master's, or Ph.D. in Chemistry, Cheminformaticsm Computational Chemistry, Bioinformatics, Computer Science, or a related field.
Strong experience with cheminformatics toolkits (e.g., RDKit, Open Babel, CDK, Indigo, OEChem).
Proficiency in Python, Java, or C++ for cheminformatics applications.
Familiarity with chemical data formats (e.g., SMILES, InChI, SDF, MOL) and transformation methodologies.
Experience with databases and query languages (e.g., PostgreSQL, MySQL, NoSQL, graph databases like Neo4j).
Knowledge of cloud computing environments (AWS, GCP, or Azure) and big data processing frameworks is a plus.
Strong problem-solving skills, attention to detail, and ability to work collaboratively in a cross-functional team.

Preferred Qualifications:

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.
Experience with computational chemistry software for geometry optimisation, energy calculation etc. via DFT MD (Schrodinger: Glide, Jaguar; Orca; Gaussian, Autodock Vina)
Experience in integrations with ELNs via APIs (Signals ELN, IDBS etc).

Quantori LLC