Hi folks,
I'm Jannis, a research scientist at IBM Research in Zurich, Switzerland. Last year I obtained my PhD from ETH Zurich for my work on language models for molecular design, done at IBM (I was doing an industrial PhD).
We've build a bunch of free software assets, most importantly GT4SD (Generative Toolkit for Scientific Discovery), a python package for training, finetuning, inference and deployment of SOTA molecular generative models. We're hosting around 20 webapps with Gradio on HuggingFace spaces where the latest models (e.g., GeoDiff, MoLeR or Regression Transformer) can be used for inference.
We've also build RXN for Chemistry, a platform for chemical reaction modeling through language models.
I try to follow the M2D2 talks whenever possible and now I started working on quantum computing techniques applied to molecular modeling.
Happy to connect 👋