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Hi there 👋

I am a project manager and AI master student based in Vienna, Austria.

  • 🔭 Working on my master thesis "Molecule and Reaction Template Generation with Transformer Architectures"
  • 🌱 Learning Hugging Face in the process

Connect with me

linked-in

Expertise

Python

PyTorch



Stephan Holzgruber's Projects

fcd icon fcd

Fréchet ChemNet Distance: A quality measure for generative models for molecules

guacamoleval icon guacamoleval

The effect of reference molecules sample size and padding length on the FCD metric value

mingpt icon mingpt

A minimal PyTorch re-implementation of the OpenAI GPT (Generative Pretrained Transformer) training

molreactgen icon molreactgen

Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implementation of OpenAI's GPT-2 transformer decoder model

pysmilesutils icon pysmilesutils

Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)

smilespe icon smilespe

SMILES Pair Encoding: A data-driven substructure representation of chemicals

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