Releases: ur-whitelab/nmrgnn
Releases · ur-whitelab/nmrgnn
v0.7
- Fixed progress bar closing and added emojis (@ziyueyang37!)
- Fixed MDAnalysis change in element misidentification
v0.6
Bumped version to MDAnalysis 2.0
v0.5
- Pinned MDAnalysis until we can figure out why it is breaking
- Added info about GPUs
v0.3
- Added ability to parse trajectories
- Packaged for pypi
v0.2
- Made model accessible from python
- pinned dependencies to prevent install errors
- Updated docs