Releases: NVIDIA-BioNeMo/cuik-molmaker
Releases · NVIDIA-BioNeMo/cuik-molmaker
Release list
v0.2.1
v0.2
Release version 0.2. Major feature updates:
- Enabled building cuik-molmaker against RDKit from PyPI
- Removed dependency on PyTorch and simplified support matrix
- Enabled Multi-OS support: Windows, MacOS, and Linux
- Enabled conda-forge support
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