Issues

• Memory leak when trying to repeatedly make SOAP descriptors in a loop

  metatensor/featomic#442 · Filter by author arthur-lin1027 opened on Jul 24, 2026
  8

• feat(mts): rework for ArcArray

  metatensor/featomic#423 · Filter by author HaoZeke opened on Feb 6, 2026

• rel: use trusted publishing

  metatensor/featomic#417 · Filter by author HaoZeke opened on Dec 4, 2025

• Problem when installing featomic-torch

  metatensor/featomic#388 · Filter by author coffeedealer opened on Apr 1, 2025
  3

• Add spherical_to_cartesian function

  enhancementPython
  metatensor/featomic#382 · Filter by author ppegolo opened on Feb 13, 2025
  1

• Utility function for rotation of equivariant TensorMaps

  metatensor/featomic#359 · Filter by author MichelangeloDomina opened on Dec 10, 2024

• Overhaul documentation

  metatensor/featomic#332 · Filter by author Luthaf opened on Sep 26, 2024

• Speed up construction of the ClebschGordanProduct class and introduce a high default for param max_angular.

  Python
  metatensor/featomic#326 · Filter by author jwa7 opened on Sep 18, 2024

• Add a tutorial about "how to get fixed size output from rascaline"

  documentation
  metatensor/featomic#310 · Filter by author Luthaf opened on Jun 6, 2024

• rascaline.torch install requests CUDA_TOOLKIT_ROOT_DIR

  metatensor/featomic#305 · Filter by author bananenpampe opened on May 28, 2024
  4

• Document the convention used for metatensor labels

  calculatorsdocumentation
  metatensor/featomic#302 · Filter by author Luthaf opened on Apr 25, 2024

• Documenting examples where utils.clebsch_gordan is used to perform custom calculations of power spectrum, etc.

  documentationPython
  metatensor/featomic#300 · Filter by author SanggyuChong opened on Apr 19, 2024
  1

• Add explanation section on how we compute radial integrals

  documentation
  metatensor/featomic#299 · Filter by author PicoCentauri opened on Apr 15, 2024
  

• Remove generate_splines from the docs

  metatensor/featomic#291 · Filter by author frostedoyster opened on Mar 22, 2024
  1

• Evaluate a splined radial basis

  Python
  metatensor/featomic#287 · Filter by author sirmarcel opened on Mar 4, 2024
  1

• Path to featomic release

  metatensor/featomic#284 · Filter by author jwa7 opened on Feb 23, 2024
  4

• Port over build system improvements from metatensor

  metatensor/featomic#281 · Filter by author Luthaf opened on Feb 12, 2024

• GPU Support for rascaline

  metatensor/featomic#271 · Filter by author Luthaf opened on Jan 5, 2024
  2

• Queries and ideas: whether rascaline.torch.LodeSphericalExpansion() supports GPUs, and the format of the output aligned with e3nn

  metatensor/featomic#270 · Filter by author clecust opened on Jan 5, 2024
  3

• Add a way to convert from other package hypers to rascaline

  calculatorsdocumentation
  metatensor/featomic#264 · Filter by author Luthaf opened on Dec 14, 2023

• Atom weighting

  calculatorsenhancement
  metatensor/featomic#261 · Filter by author ceriottm opened on Nov 15, 2023

• Start a doc page listing papers using rascaline

  documentation
  metatensor/featomic#255 · Filter by author Luthaf opened on Nov 3, 2023

• Future directions for CG iterations

  calculatorsPython
  metatensor/featomic#239 · Filter by author jwa7 opened on Sep 28, 2023
  4

  

• For all current calculators, implement the option to return only metadata

  C / C++Python
  metatensor/featomic#238 · Filter by author jwa7 opened on Sep 28, 2023
  1

• Add example of how to use rascaline-torch

  Torch
  metatensor/featomic#225 · Filter by author Luthaf opened on Sep 4, 2023