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
I am a project manager and AI master student based in Vienna, Austria.
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
Forked from MolecularAI/pysmilesutils
Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)
Forked from XinhaoLi74/SmilesPE
SMILES Pair Encoding: A data-driven substructure representation of chemicals
Jupyter Notebook 1
Forked from BenevolentAI/guacamol
Benchmarks for generative chemistry
Python 1
Forked from renzph/generative-models-for-molecules
Overview of published generative models that produce molecules
Forked from renzph/compression-by-prediction
A short educative notebook actually using a language model + Huffman coding
Jupyter Notebook 1