Torch-pgn

Latest version: v0.1.3

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0.1.3

New minor release with command line syntax for common PGN tasks. Also merged with read_the_docs branch.

0.1.2

Fix several issues with pip install from 0.1.1 release.

- Issues with six package not included in oddt pip causing errors for some installs
- Add missing __init__.py files to allow for module imports
- Fix pyg dataloading warnings to clean console up and align with standards for the library

0.1.1

First version to released on PyPI.

New features include:

- DimeNET++ encoder support
- Variable Radius and Depth parameters for graph generation
- Parallel Hyperparameter optimization with Optuna

v0.1.0-paper
Version of the repo used to generate the results from the pgn paper. Compatible with packages circa ~2021, with out-of-date pyg and torch releases.

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