Pinned Repositories
character-tokenizer
A character tokenizer for Hugging Face Transformers
compression-by-prediction
A short educative notebook actually using a language model + Huffman coding
fcd
Fréchet ChemNet Distance: A quality measure for generative models for molecules
fcd_torch
Fréchet ChemNet Distance on PyTorch
guacamol
Benchmarks for generative chemistry
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
Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)
SmilesPE
SMILES Pair Encoding: A data-driven substructure representation of chemicals
hogru's Repositories
hogru/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
hogru/pysmilesutils
Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)
hogru/guacamol
Benchmarks for generative chemistry
hogru/SmilesPE
SMILES Pair Encoding: A data-driven substructure representation of chemicals
hogru/character-tokenizer
A character tokenizer for Hugging Face Transformers
hogru/compression-by-prediction
A short educative notebook actually using a language model + Huffman coding
hogru/fcd
Fréchet ChemNet Distance: A quality measure for generative models for molecules
hogru/fcd_torch
Fréchet ChemNet Distance on PyTorch
hogru/generative-models-for-molecules
Overview of published generative models that produce molecules
hogru/hogru
hogru/minGPT
A minimal PyTorch re-implementation of the OpenAI GPT (Generative Pretrained Transformer) training
hogru/GuacaMolEval
The effect of reference molecules sample size and padding length on the FCD metric value