Position: C++ developer with cheminformatics background
Company: Datagrok
Experience required: 3y
Category: C++
English level: upper
Published: 2023-08-01T00:00:00+03:00

We are a US-based startup working in the biotech domain. With our platform, you can interactively analyze millions of molecules in the browser, use built-in tools for data exploration, and develop new functionality as plugins. Check out this video on cheminformatics to get a feel of it.

To work with massive molecular datasets completely in the browser, we are extensively using RDKit MinimalLib (RDKit compiled to WASM). With this approach, we’ve implemented many common routines such as substructure search, property calculations, and others, but we still want to do a lot more! Unfortunately, RDKit MinimalLib only provides high-level API, and you can’t go down to the level of atoms and bonds. The only solution we see is to implement the algorithms in C++ and either extend or use MinimalLib.

We are looking for someone with both solid skills in C++ and cheminformatics background. You can be a graduate student, a postdoc, or a software engineer - what matters is the ability to get the job done! Here are the typical examples of what we need: R-Group analysis, support for reactions, Murcko scaffolds, canonicalization, and generating scaffold trees.

This could be either a one-time gig, a part-time job, or a full-time job; we always have tons of interesting problems and looking for talent!