Releases: NatLabRockies/nfp
Releases · NatLabRockies/nfp
patch for install without rdkit
support for python 3.6
What's Changed
- don't require tfrecord_features in preprocessor by @pstjohn in #22
- changes for python 36 by @pstjohn in #23
Full Changelog: 0.3.10...0.3.11
soft rdkit import
Hook for ray tensorflow import
Minor fix for compatibility with ray and rllib
Quick fix for loading previous version json files
Full Changelog: 0.3.7...0.3.8
Padding fixes for connectivity
What's Changed
Full Changelog: 0.3.5...0.3.6
Minor bugfix
quick edits for handling graphs without edges
New preprocessor inheritance model
Adds the pymatgen preprocessor, the RBFExpansion layer (Radial Basis Function), and a new inheritance model for preprocessor classes that leverages networkx.
What's Changed
Full Changelog: 0.3.3...0.3.4
Additional support for tfrecords, reverting graph_layers
0.3.3 reverting graph_layers
Adds support for bond_indices on MolPreprocessor
0.3.2 add support for bond_indices