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@dependabot dependabot bot commented on behalf of github Apr 7, 2025

Bumps sevenn from 0.10.3 to 0.11.0.

Release notes

Sourced from sevenn's releases.

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

New Contributors

Full Changelog: MDIL-SNU/SevenNet@v0.10.4...v0.11.0

v0.11.0-alpha

Pre-release of multi modal feature.

[0.11.0]

Added

  • Build multi-fidelity model, SevenNet-MF, based on given modality in the yaml
  • Modality support for sevenn_inference, sevenn_get_modal, and SevenNetCalculator
  • [cli] 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

Added (code)

  • sevenn.train.modal_dataset SevenNetMultiModalDataset
  • sevenn.scripts.backward_compatibility.py
  • sevenn.checkpoint.py

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

Fixed

  • More refactor for shift scale things + few bug fixes
  • Correctly shuffle training set when distributed training is enabled

... (truncated)

Changelog

Sourced from sevenn's changelog.

[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

[0.10.4]

Added

  • feats: D3 calculator

Fixed

  • bug: info dict sharing (therefore energy stress) when structure_list used
  • torch >= 2.5.0 works
  • numpy >= 2.0 works (need more testing)

Changed

  • sevennet_calculator.py => calculator
  • fine tunine preset to use original loss function (Huber) and loss weights
Commits
  • 245920c Merge pull request #184 from MDIL-SNU/checkpoint
  • abb088b [pre-commit.ci] auto fixes from pre-commit.com hooks
  • 0ee9402 Update README.md
  • cd89743 Merge branch 'checkpoint' of github.com:MDIL-SNU/SevenNet into checkpoint
  • 8bd75fe refactor
  • e8a2d2b docs: revise model descriptions in README
  • 728405c test: fix mf_ompa test in test_pretrained
  • c43c640 docs: write the informations about new models on readme
  • 0e42e89 docs: changelog
  • 9aee18f refactor
  • Additional commits viewable in compare view

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@dependabot dependabot bot added dependencies Pull requests that update a dependency file python Pull requests that update python code labels Apr 7, 2025
Bumps [sevenn](https://github.com/MDIL-SNU/SevenNet) from 0.10.3 to 0.11.0.
- [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...v0.11.0)

---
updated-dependencies:
- dependency-name: sevenn
  dependency-version: 0.11.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <[email protected]>
@dependabot dependabot bot force-pushed the dependabot/pip/sevenn-0.11.0 branch from 2a6d58d to 79d3a2f Compare April 21, 2025 08:34
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dependabot bot commented on behalf of github May 5, 2025

Superseded by #1193.

@dependabot dependabot bot closed this May 5, 2025
@dependabot dependabot bot deleted the dependabot/pip/sevenn-0.11.0 branch May 5, 2025 08:03
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