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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

License: MIT License

Python 0.37% Shell 0.01% Jupyter Notebook 99.62%
auto-regressive-model gpt-2 molecules reactions transformer causal-language-modeling huggingface

molreactgen's Introduction

Hi there ๐Ÿ‘‹

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

  • ๐Ÿ”ญ Working on my master thesis "Molecule and Reaction Template Generation with Transformer Architectures"
  • ๐ŸŒฑ Learning Hugging Face in the process

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Expertise

Python

PyTorch



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