Commits

Commits on Jul 23, 2024

Update README.md
cvignac
committedJul 23, 2024
Merge pull request #8 from AuroVarat/master
cvignac
committedJul 23, 2024

Commits on May 7, 2024

Update README.md
cvignac
committedMay 7, 2024

Commits on Apr 26, 2024

Update README.md
cvignac
committedApr 26, 2024

Commits on Apr 24, 2024

Update matplotlib version to 3.7.0 in requirements.txt.
AuroVarat
committedApr 24, 2024

Commits on Nov 22, 2023

Added LICENSE
Clement Vignac
committedNov 22, 2023

Commits on Oct 24, 2023

Updated the links to checkpoints for geom with h
Clement Vignac
committedOct 24, 2023

Commits on Jul 6, 2023

Added geom_h_adaptive graphs, checkpoint, smiles
Clement Vignac
committedJul 6, 2023

Commits on Jun 28, 2023

Seems fully functional
Clement Vignac
committedJun 28, 2023
Works, but things are logged multiple times
Clement Vignac
committedJun 28, 2023
In progress
Clement Vignac
committedJun 28, 2023

Commits on Jun 26, 2023

Added instructions for open babel
Clement Vignac
committedJun 26, 2023
Bug fix in likelihhod computation
Clement Vignac
committedJun 26, 2023
Refactor + listed package version in requirements
Clement Vignac
committedJun 26, 2023

Commits on Jun 5, 2023

Added the paper itself.
Clement Vignac
committedJun 5, 2023
Improved compatibility with latest version of PyG
Clement Vignac
committedJun 5, 2023

Commits on May 22, 2023

MIDI v2
Clement Vignac
committedMay 22, 2023

Commits on Mar 2, 2023

Added instructions for running sampling_metrics + removed useless code
Clement Vignac
committedMar 2, 2023

Commits on Feb 20, 2023

Updated README
Clement Vignac
committedFeb 20, 2023
Removed generated samples
Clement Vignac
committedFeb 20, 2023
Several small fixes
Clement Vignac
committedFeb 20, 2023
First commit.
Clement Vignac
committedFeb 20, 2023