bigchem

online-chem

Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.

retrosynthesis

Applying deep neural networks for retrosynthesis tasks

synthesis

Contains results and data from Augmented Transformer article

transformer-cnn

Transformer CNN for QSAR/QSPR modelling

ochem-code

Open OCHEM code

ochem-external-tools

External tools used in OCHEM

openochem

bigchem/transformer-cnn

Transformer CNN for QSAR/QSPR modelling

bigchem/retrosynthesis

Applying deep neural networks for retrosynthesis tasks

bigchem/synthesis

Contains results and data from Augmented Transformer article

bigchem/online-chem

Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.