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@dependabot dependabot bot commented on behalf of github May 5, 2025

Bumps sevenn from 0.10.3 to 0.11.1.

Release notes

Sourced from sevenn's releases.

v0.11.1

[0.11.1]

From here, the version of 'main' branch has 'devX' after it diverges from the latest stable version

CLI interface changed in backward-compatible manner. Now sevenn has subcommands for inference, train, etc

Added

  • subcommand with some aliases
  • strict e3nn version requirement from init.py

Changed

  • pre-commit uses python3.11
  • cuequivaraiance optional libraries
  • some gitignores

Fixed

  • Circular import in sevenn.checkpoint (dev0)
  • Fix typing issues
  • Added missing typings (especially return type)

What's Changed

New Contributors

Full Changelog: MDIL-SNU/SevenNet@v0.11.0...v0.11.1

v0.11.0

The official release of v0.11.0 includes a multi-fidelity learning feature and new pre-trained models (7net-MF-ompa, 7net-omat)

CHANGELOG.md

What's Changed

... (truncated)

Changelog

Sourced from sevenn's changelog.

[0.11.1]

From here, the version of 'main' branch has 'devX' after it diverges from the latest stable version

CLI interface changed in backward-compatible manner. Now sevenn has subcommands for inference, train, etc

Added

  • subcommand with some aliases
  • strict e3nn version requirement from init.py

Changed

  • pre-commit uses python3.11
  • cuequivaraiance optional libraries
  • some gitignores

Fixed

  • Circular import in sevenn.checkpoint (dev0)
  • Fix typing issues
  • Added missing typings (especially return type)

[0.11.0]

Multi-fidelity learning implemented & New pretrained-models

Added

  • Build multi-fidelity model, SevenNet-MF, based on given modality in the yaml
  • Modality support for sevenn_inference, sevenn_get_modal, and SevenNetCalculator
  • sevenn_cp tool for checkpoint summary, input generation, multi-modal routines
  • Modality append / assign using sevenn_cp
  • Loss weighting for energy, force and stress for corresponding data label
  • Ignore unlabelled data when calculating loss. (e.g. stress data for non-pbc structure)
  • Dict style dataset input for multi-modal and data-weight
  • (experimental) cuEquivariance support
  • Downloading large checkpoints from url (7net-MF-ompa, 7net-omat)
  • D3 wB97M param

Changed

  • Sort instructions of tensor product in convolution (+ fix flipped w3j coeff of old model)
  • Lazy initialization for IrrepsLinear and SelfConnection*
  • Checkpoint things using sevenn/checkpoint.py
  • e3nn >= 0.5.0, to ensure changed CG coeff later on
  • pandas as dependency
  • old v1 presets are removed, liquid electrolyte fine-tune yaml is added

Fixed

  • More refactor for shift scale things + few bug fixes
  • Correctly shuffle training set when distributed training is enabled
  • D3 calculator system swap memory error fixed
  • D3 compile uses $HOME/.cache if package directory is not writable

... (truncated)

Commits

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Bumps [sevenn](https://github.com/MDIL-SNU/SevenNet) from 0.10.3 to 0.11.1.
- [Release notes](https://github.com/MDIL-SNU/SevenNet/releases)
- [Changelog](https://github.com/MDIL-SNU/SevenNet/blob/main/CHANGELOG.md)
- [Commits](MDIL-SNU/SevenNet@v0.10.3...v0.11.1)

---
updated-dependencies:
- dependency-name: sevenn
  dependency-version: 0.11.1
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <[email protected]>
@dependabot dependabot bot added dependencies Pull requests that update a dependency file python Pull requests that update python code labels May 5, 2025
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dependabot bot commented on behalf of github May 19, 2025

Superseded by #1200.

@dependabot dependabot bot closed this May 19, 2025
@dependabot dependabot bot deleted the dependabot/pip/sevenn-0.11.1 branch May 19, 2025 07:44
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