Merge requests · ai-toolkit

Init

tutorial-auto-stm!1 · created Jan 15, 2025 by Adam Fekete
- Approved
updated Jan 16, 2025
Refactor the final notebbok

tutorial-error-estimates-qrf!3 · created Oct 17, 2024 by Adam Fekete
updated Oct 18, 2024
Update notebook based on reviewer's comments

tutorial-error-estimates-qrf!2 · created Oct 14, 2024 by Daniel Speckhard
- Merged
updated Oct 16, 2024
Refactoring

tutorial-catalysis-MRS2021!1 · created Jun 11, 2024 by Adam Fekete
updated Jun 11, 2024
added references and reworded introduction

tutorial-kpca-soap!2 · created Mar 20, 2024 by James Darby
updated Mar 20, 2024
Init

tutorial-kpca-soap!1 · created Mar 18, 2024 by Adam Fekete
- Merged
- 1
- Approved
updated Mar 19, 2024
Updates

tutorial-dos-similarity-search!2 · created Mar 04, 2024 by Adam Fekete
- 1
- Approved
updated Mar 07, 2024
feat: update notebooks

tutorial-ml-molsim!1 · created Jan 12, 2024 by Kevin Jablonka init
updated Jan 16, 2024
HOTFIX: fix cell removing empty fingerprints

tutorial-dos-similarity-search!1 · created Aug 22, 2023 by Martin Kuban
- Merged
updated Feb 28, 2024
Draft: Refactor and Update the code 0 of 9 checklist items completed

nomad-lab/ai-toolkit/packages/atomic-features-package!1 · created Jun 12, 2023 by Adam Fekete
- 1
updated Jun 12, 2023
Draft: New dockerfile

tutorial-compressed-sensing!1 · created May 12, 2023 by Adam Fekete
- 4
updated May 17, 2023
Add CBS extrapolation with QRF notebook.

tutorial-error-estimates-qrf!1 · created Mar 24, 2023 by Daniel Speckhard
- Merged
- 10
- Approved
updated Sep 09, 2024
Ikz winter school 2023 testing

nomad-lab/ai-toolkit/workshops/ikz-winter-school-2023!2 · created Jan 20, 2023 by Adam Fekete
- Merged
updated Jan 20, 2023
plot results

tutorial-nequip!1 · created May 30, 2022 by Shuaihua Shlu
Initial work

tutorial-proto-archetype-clustering-sisso!1 · created Jan 03, 2022 by Luigi Sbailo
- Merged
updated Jan 03, 2022
Periodic table rescaled

tutorial-query-nomad-archive!5 · created Jan 31, 2021 by Aakash Ashok Naik
- Merged
updated Jan 31, 2021
Pymat module error fix

tutorial-query-nomad-archive!4 · created Jan 30, 2021 by Aakash Ashok Naik
- Merged
updated Jan 30, 2021
Missing dependencies update

tutorial-query-nomad-archive!3 · created Jan 29, 2021 by Aakash Ashok Naik
- Merged
updated Jan 29, 2021
Updated query nomad archive(metainfo)

tutorial-query-nomad-archive!2 · created Jan 27, 2021 by Aakash Ashok Naik
- Merged
updated Jan 28, 2021
Updated query nomad archive

tutorial-query-nomad-archive!1 · created Jan 27, 2021 by Aakash Ashok Naik
- Merged
updated Jan 27, 2021