ChEMBL blogpost notebooks
- Multi-task neural network on ChEMBL with PyTorch 1.0 and RDKit: https://chembl.blogspot.com/2019/05/multi-task-neural-network-on-chembl.html. dataset
- CuPy example for CUDA based similarity search in Python: http://chembl.blogspot.com/2019/07/cupy-example-for-cuda-based-similarity.html