I'm an application scientist working at the intersection of medicine design, molecular modelling, and science education. I enjoy solving complex problems, sharing knowledge, and building tools that make computational chemistry more accessible.

• 🌱 Currently learning: Hiragana and new approaches in chemoinformatics education
• 🔭 Working on: computational education, molecular modelling workflows, and cheminformatics applications
• 🌍 Languages: Python, English, German, French, Luxembourgish
• ⚡ Fun fact: I'm the Hitster champion in my group, predicting hits like I spot trends in molecular docking.

I design and develop reproducible workflows for drug discovery and computational chemistry education, with a strong focus on molecular docking, data-driven modelling, and teaching scientists how to use modern tools.

• Built interactive notebooks and teaching material to help learners explore molecular modelling concepts.
• Developed cheminformatics workflows for dataset preparation, molecular descriptors, and virtual screening.
• Supported cross-disciplinary teams in translating medicinal chemistry questions into computational experiments.

• Supporting education initiatives and collaborative research in medicinal chemistry and computational drug discovery.
• Creating clear, practical resources for scientists who want to adopt data-driven modelling.
• Active in communities like EFMC2 for computational medicinal chemistry.

• https://www.linkedin.com/in/mkrier/
• https://x.com/mvkrier
• https://bsky.app/profile/mvkrier.bsky.social
• EFMC2 - European Federation of Medicinal Chemistry goes Computational: https://www.linkedin.com/groups/12902355/