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33 Open 38 Closed
33 Open 38 Closed
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Issues list

Utility function for rotation of equivariant TensorMaps
#359 opened Dec 10, 2024 by MichelangeloDomina
Overhaul documentation
#332 opened Sep 26, 2024 by Luthaf
6 tasks
Speed up construction of the ClebschGordanProduct class and introduce a high default for param max_angular. Python Issues related to the Python API
#326 opened Sep 18, 2024 by jwa7
Add a tutorial about "how to get fixed size output from rascaline" documentation Improvements or additions to documentation
#310 opened Jun 6, 2024 by Luthaf
rascaline.torch install requests CUDA_TOOLKIT_ROOT_DIR
#305 opened May 28, 2024 by bananenpampe
4
Document the convention used for metatensor labels calculators Work on the representation/fingerprint functions. documentation Improvements or additions to documentation
#302 opened Apr 25, 2024 by Luthaf
Documenting examples where utils.clebsch_gordan is used to perform custom calculations of power spectrum, etc. documentation Improvements or additions to documentation Python Issues related to the Python API
#300 opened Apr 19, 2024 by SanggyuChong
1
Add explanation section on how we compute radial integrals documentation Improvements or additions to documentation
#299 opened Apr 15, 2024 by PicoCentauri
@PicoCentauri @kvhuguenin
Remove generate_splines from the docs
#291 opened Mar 22, 2024 by frostedoyster
1
Evaluate a splined radial basis Python Issues related to the Python API
#287 opened Mar 4, 2024 by sirmarcel
1
Path to featomic release
#284 opened Feb 23, 2024 by jwa7
2 of 3 tasks
4
Port over build system improvements from metatensor
#281 opened Feb 12, 2024 by Luthaf
4 of 9 tasks
GPU Support for rascaline
#271 opened Jan 5, 2024 by Luthaf
2
Queries and ideas: whether rascaline.torch.LodeSphericalExpansion() supports GPUs, and the format of the output aligned with e3nn
#270 opened Jan 5, 2024 by clecust
3
Add a way to convert from other package hypers to rascaline calculators Work on the representation/fingerprint functions. documentation Improvements or additions to documentation
#264 opened Dec 14, 2023 by Luthaf
Atom weighting calculators Work on the representation/fingerprint functions. enhancement Implementation of new features
#261 opened Nov 15, 2023 by ceriottm
Start a doc page listing papers using rascaline documentation Improvements or additions to documentation
#255 opened Nov 3, 2023 by Luthaf
Future directions for CG iterations calculators Work on the representation/fingerprint functions. Python Issues related to the Python API
#239 opened Sep 28, 2023 by jwa7
10 tasks
@agoscinski @jwa7
@DivyaSuman14 @frostedoyster
4
For all current calculators, implement the option to return only metadata C / C++ Issues related to the C and C++ API Python Issues related to the Python API
#238 opened Sep 28, 2023 by jwa7
1
Add example of how to use rascaline-torch Torch Issues related to the Torch API
#225 opened Sep 4, 2023 by Luthaf
Collect code coverage for the Torch code Torch Issues related to the Torch API
#219 opened Aug 17, 2023 by Luthaf
PowerSpectrum TensorMap can not be fully merged in a single block Python Issues related to the Python API
#213 opened Aug 4, 2023 by PicoCentauri
2
Helper functions for species selection/conversion Python Issues related to the Python API
#190 opened May 30, 2023 by Luthaf
Missing intersphinx links to other packages in how-to tutorials documentation Improvements or additions to documentation Python Issues related to the Python API
#177 opened Apr 11, 2023 by Luthaf
3
How-to on explaining what each calculator is doing documentation Improvements or additions to documentation help wanted Extra attention is needed
#164 opened Mar 2, 2023 by PicoCentauri
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