All pull requests

Pull requests

• feature/SOF-8096 Feature: gold cluster energy per atom simulation notebook

  #406·VsevolodX opened Oct 30, 2026Member·3 of 4 tasks·

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• feature/SOF-8091 Update: a description above every code cell of the SrTiO3 notebooks

  #405·VsevolodX opened Oct 29, 2026Member·

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• feature/SOF-8090-job-name Update: VBO and SBH job names carry the interface material's name [AI-written]

  #403·VsevolodX opened Oct 28, 2026Member·

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  4

• Feature: combinatorial interface sets notebook [AI-written]

  #400·VsevolodX opened Oct 27, 2026Member·

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  5

• fix: Schottky barrier plot renders in JupyterLite

  #399·VsevolodX opened Oct 27, 2026Member·

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• feature/alchemi Feature: ALCHEMI relaxation workflows and a notebook that times them

  #395·VsevolodX opened Oct 20, 2026Member·

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  7

• feature/SOF-8085 Feature: flat bands of twisted bilayer h-BN at 7.34° (Xian 2019)

  #392·VsevolodX opened Oct 18, 2026Member·6 tasks done·

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  7

• SOF-8081: example parsers for measurement folders

  #389·VsevolodX opened Oct 13, 2026Member·

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• feature/SOF-8072 Feature: SE for a Ti adatom on a 5×5 TiN island, descent energetics of Fig. 6 (MACE)

  #385·VsevolodX opened Oct 9, 2026Member·4 tasks·

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• SOF-8053: Create initial strained CALPHAD model

  #382·svbarabash opened Oct 6, 2026·

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• build(deps): bump torch from 2.11.0+cu128 to 2.13.0 in /other/experiments/alchemi/scripts

  dependenciespython
  #377·dependabot[bot] opened Sep 26, 2026Bot·

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• SOF-8051: parse and upload lab data (UTK SPM, NLR XRF and DC I-V)

  #374·VsevolodX opened Sep 22, 2026Member·

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• AlScN point-defect thermodynamic model notebook [SOF-8054]

  #368·svbarabash opened Sep 14, 2026·

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• feature/SOF-7961: add scoped material bridge helpers

  #355·VsevolodX opened Aug 6, 2026Member·

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• fix: ELEMENTAL_TE_SOURCE was never applied to the submitted job

  #353·VsevolodX opened Aug 1, 2026Member·

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• feature/pyodide package cache

  #350·VsevolodX opened Jul 19, 2026Member·

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• experiment/nequip

  #325·timurbazhirov opened May 21, 2026Member·

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• experiment/chgnet

  #324·timurbazhirov opened May 20, 2026Member·

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• experiment/sevennet

  #323·timurbazhirov opened May 20, 2026Member·

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• Experiment/mattersim

  #322·timurbazhirov opened May 20, 2026Member·

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• playwright poc

  #320·timurbazhirov opened May 19, 2026Member·

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• experiment: support for uma

  #319·timurbazhirov opened May 19, 2026Member·

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• feat: minimal mcp server

  #316·timurbazhirov opened May 17, 2026Member·

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• feat: slakonet example

  #291·timurbazhirov opened Apr 6, 2026Member·

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  3

• feat: add mace example

  #287·timurbazhirov opened Apr 2, 2026Member·

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  1