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hogru/README.md

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



Popular repositories Loading

  1. MolReactGen MolReactGen Public

    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

    Jupyter Notebook 15 2

  2. pysmilesutils pysmilesutils Public

    Forked from MolecularAI/pysmilesutils

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

    Python 2 1

  3. SmilesPE SmilesPE Public

    Forked from XinhaoLi74/SmilesPE

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

    Jupyter Notebook 1

  4. guacamol guacamol Public

    Forked from BenevolentAI/guacamol

    Benchmarks for generative chemistry

    Python 1

  5. generative-models-for-molecules generative-models-for-molecules Public

    Forked from renzph/generative-models-for-molecules

    Overview of published generative models that produce molecules

  6. compression-by-prediction compression-by-prediction Public

    Forked from renzph/compression-by-prediction

    A short educative notebook actually using a language model + Huffman coding

    Jupyter Notebook 1