Bundesanstalt für Materialforschung und -prüfung (BAM)

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Published April 27, 2025 | Version v0.1.3
Software Open

autoatml/autoplex: v0.1.3

Creators

  • 1. Bundesanstalt für Materialforschung und -prüfung
  • 2. https://github.com/BAMresearch
  • 3. Federal Institute for Materials Research and Testing
  • 4. University of Oxford

Description

<!-- Release notes generated using configuration in .github/release.yml at main -->

What's Changed

🚀 New Features

  • Enable NEP interface by @naik-aakash in https://github.com/autoatml/autoplex/pull/288
  • RSS Test and Interactive Tutorial for Phonon and RSS Workflow by @JaGeo in https://github.com/autoatml/autoplex/pull/343
  • Move Maker defaults to CompleteDFTvsMLBenchmarkWorkflow definition by @QuantumChemist in https://github.com/autoatml/autoplex/pull/333

🐛 Bug Fixes

  • Regularization in higher dimensions by @YuanbinLiu in https://github.com/autoatml/autoplex/pull/354

📚 Documentation

  • Include executable tutorials in documentation website by @naik-aakash in https://github.com/autoatml/autoplex/pull/349
  • New additions to documentation by @YuanbinLiu in https://github.com/autoatml/autoplex/pull/363
  • Update README.md by @JaGeo in https://github.com/autoatml/autoplex/pull/366

🧹 House-Keeping

  • add non executed tutorial notebooks (reduce size) by @naik-aakash in https://github.com/autoatml/autoplex/pull/348
  • Add MANIFEST.in by @naik-aakash in https://github.com/autoatml/autoplex/pull/357
  • update dependencies by @naik-aakash in https://github.com/autoatml/autoplex/pull/367

Full Changelog: https://github.com/autoatml/autoplex/compare/v0.1.2...v0.1.3

Files

autoatml/autoplex-v0.1.3.zip

Files (85.2 MB)

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md5:a2df1c533f41a9108ad484090edba5c4
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Additional details

Related works

Is supplement to
Software: https://github.com/autoatml/autoplex/tree/v0.1.3 (URL)

Software

Repository URL
https://github.com/autoatml/autoplex