Software & data

Tools I have contributed to and data accompanying my research, followed by experiments outside the lab.

From the research

01 / Selected resources

Atomic representations

Research contribution · archived upstream

A C++ and Python library for representing atomic environments in machine-learning models.

Reproducible research

Companion dataset · Zenodo

The public fentanyl generation pool and relaxed landscapes accompanying our study of ML-guided crystal reranking.

A changing selection of personal projects and experiments from GitHub.

Reimplementation of kaffeelogic application with additional features and mcp/api server.

Fork of Jev-Ultrafast repo

Exploration for building universal embeddings of analytical data

A remake of the OG WinAmp to run on mac. Uses Youtube or Spotify as backend.

Monitor what's happening in the world

An experimental editorial team of a national newspaper based on LLM agents