Fredrik Wallner
Senior Research Scientist And Senior Software Engineer at IRLAB Therapeutics AB
Greater Gothenburg Metropolitan Area Sweden
Summary
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Senior🎓
Top SchoolFredrik Wallner is a senior research scientist and software engineer with 16 years of experience bridging organic synthesis, medicinal chemistry and cheminformatics to deliver practical lab-facing software. As founder and board director of Wallner Medicinal Chemistry AB he builds and supports a web-based electronic lab notebook used by ~150 chemists, combining hands-on product development with customer-facing deployment and support. At IRLAB Therapeutics he applies informatics and computational chemistry to preclinical projects, while his academic roles (including an adjunct professorship) keep him grounded in mechanistic biology and modeling. An active contributor to Open Babel, he has improved chemical depiction and file-handling accuracy, demonstrating an attention to detail that spans both algorithmic and experimental data challenges. He frequently blends multivariate data evaluation, scripting and visualization to turn complex experimental data into actionable decisions.
16 years of coding experience
2 years of employment as a software developer
Ph.D., Organic Chemistry, Ph.D., Organic Chemistry at Umeå University
English, Swedish, French
Stackoverflow
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0reached
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Github Skills (7)
chemistry10
c-language10
cprogramming-language10
toolbox10
cheminformatics10
code-optimization9
unit-testing8
Programming languages (12)
Github contributions (5)
openbabel/openbabel
Aug 2013 - Dec 2022
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Role in this project:
Back-end Developer
Back-end DeveloperContributions:1 review, 13 commits, 16 PRs in 9 years 5 months
Contributions summary:Fredrik made several contributions related to the depiction of chemical structures, particularly within the PNG format. Their work involved modifying the CairoPainter class, adding functions for pen width and color, and implementing options for background and bond color customization. Additionally, the user addressed issues related to coordinate generation and the handling of implicit hydrogens within different file formats, enhancing the accuracy and functionality of the Open Babel library. The user also added testing to ensure these changes function correctly.
chemical-datacheminformaticsbabelchemistrytoolbox
fredrikw/openbabel-feedstock
Nov 2019 - Feb 2025
A conda-smithy repository for openbabel.
Contributions:19 pushes, 8 branches in 5 years 4 months
pythonopenbabelcondasmithy
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