Pinned Loading

1. shallow-tree shallow-tree Public

   Retrosynthetic analysis and scoring

   Python

2. bayesian-opt-gen-design bayesian-opt-gen-design Public

   Generation of molecules with optimized property using bayesian optimization

   Jupyter Notebook

3. GAN-mol-generator GAN-mol-generator Public

   Generation of molecules with a GAN

   Jupyter Notebook

4. matched-molecular-pairs-visualisation matched-molecular-pairs-visualisation Public

   Matched molecular pairs analysis and visualisation

   Java

5. rdkit-cpp-utils rdkit-cpp-utils Public

   rdkit scripts for C++

   C++

6. pumpswap-grpc pumpswap-grpc Public

   Rust