Changelog
Conventions
PiNN follows the PEP 440 scheme of versioning. Specifically, the
versions are tagged as major.minor.micro. micro updates with same
minor version are expected to be backward-compactible, i.e., the
models trained on old micro version can be used newer ones. minor
updates can break backward-compatibility, if this happens it should be
documented in this change log.
v2.x.y
v2.0.0
- New Network:
- PiNet2: new equivariant neural network;
- New Models:
- PiNet-dipole: dipole moment prediction model;
- PiNet-\(\chi\): machine learning charge response kernel model;
- New workflow:
- nextflow: training pipeline is now managed by Nextflow
- New tools:
pinn report: extract results from work directory or model folder
v1.x.y
v1.1.0
- Refactor layers (breaks compatibility with saved models <v1.1.0).
v1.0.0
- Refactor to TensorFlow 2.
v0.x.y
v0.3.0
- Initial public release