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 16 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