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👨‍💻 About Me :

  • 🔭 Accelerating molecular materials design with machine learning and ab initio simulations
  • :atom: Quantum Chemistry, Cheminformatics, Protein Design
  • 🤖 Machine Learning and Data Science
  • 🕸️ Sometimes I do web stuff

🛠️ Languages and Tools :

Data Science and Machine Learning

Python  Pytorch  Tensorflow  Pandas 

Web Development

Django  Flask  JavaScript  CSS  HTML 

Various

Docker  MySQL 

Dominik Lemm's Projects

ccd_krr icon ccd_krr

Simple kernel ridge regression setup for the computational compound design (CCD) lecture

cgnet icon cgnet

learning coarse-grained force fields

gdsc23 icon gdsc23

Capgemini Global Data Science Challenge 2023 | Biodiversity Buzz | Solution of the team "It is a bug"

ion_detective icon ion_detective

Virtual laboratory for chemistry students to simulate qualitative ion analysis.

molassembler icon molassembler

Chemoinformatics toolkit with support for inorganic molecules

pocketoptimizer icon pocketoptimizer

Binding pocket optimization based on force fields and docking scoring functions

qml icon qml

QML: Quantum Machine Learning

schnetpack icon schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems

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