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Hi, I'm Fabian 👋

I'm a Ph.D student at the Institute of Computational Physics | University of Stuttgart working in the field of Machine Learning, primarily on Neural Network Potentials for molecular dynamics simulations.

Your Repository's Stats

🔭 As a core member of zincware, I'm mostly developing Software for the scientific community. Some of the projects I'm currently working on are

  • ZnTrack - Create, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks.
  • MDSuite - A post-processing engine for particle simulations.
  • ZnDraw - Visualize and Edit Molecular Structures.
  • ZnH5MD - High Performance Interface for H5MD Trajectories.
  • ZnFlow - General Purpose Framework for Computational Graphs.
  • ZnJSON - Package to Encode/Decode some common file formats to json.

Fabian Zills's Projects

awesome-datascience icon awesome-datascience

:memo: An awesome Data Science repository to learn and apply for real world problems.

awesome-pipeline icon awesome-pipeline

A curated list of awesome pipeline toolkits inspired by Awesome Sysadmin

chem-spectra-app icon chem-spectra-app

A backend web service provides NMR/IR/MS processing for jcamp/RAW/mzML files.

chemdata icon chemdata

Web-based management tools for groups in chemical education and science.

dvc icon dvc

🦉 Data Version Control | Git for Data & Models | ML Experiments Management

fhem-rl icon fhem-rl

Working with reinforcment learning and FHEM

fhem-rnn icon fhem-rnn

Support for LSTM-Neuronal Networks to predict actions in smartHome scenarios with fhem.

jsonpickle icon jsonpickle

Python library for serializing any arbitrary object graph into JSON. It can take almost any Python object and turn the object into JSON. Additionally, it can reconstitute the object back into Python.

lazy_loader icon lazy_loader

Populate library namespace without incurring immediate import costs

mace icon mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

mdsuite icon mdsuite

A post-processing engine for particle simulations

nequip icon nequip

NequIP is a code for building E(3)-equivariant interatomic potentials

pyxtal_ff icon pyxtal_ff

Machine Learning Interatomic Potential Predictions

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