👋 Hi, I’m Adrian
I am a computational chemist/chemical biologist at the Max Plack Institute of Molecular Physiology in Dortmund (Germany).
I enjoy everything science related, cheminformatics, data science and ML!
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Report abuse👋 Hi, I’m Adrian
I am a computational chemist/chemical biologist at the Max Plack Institute of Molecular Physiology in Dortmund (Germany).
I enjoy everything science related, cheminformatics, data science and ML!
A Comprehensive Topological Complexity Indicator for Small Molecules
Forked from forlilab/bottchscore
Calculate Böttcher score on small molecules (doi.org/10.1021/acs.jcim.5b00723)
Python
Forked from sebhaan/DoEgen
DoEgen: A Python Library for Optimised Design of Experiment Generation and Evaluation
Python