Releases: NVIDIA-Digital-Bio/cuik-molmaker
Releases · NVIDIA-Digital-Bio/cuik-molmaker
v0.2
v0.1
cuik-molmaker release v0.1
This is the first release of cuik-molmaker. This release include the following features:
- Atom features and bond features in implemented in C++
- Single and batched featurization of SMILES strings
- Ability to control how SMILES is parsed and how features are rendered