Merge requests · ai-toolkit

plot results

tutorial-nequip!1 · created May 30, 2022 by Shuaihua Shlu
Draft: New dockerfile

tutorial-compressed-sensing!1 · created May 12, 2023 by Adam Fekete
- 4
updated May 17, 2023
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
feat: update notebooks

tutorial-ml-molsim!1 · created Jan 12, 2024 by Kevin Jablonka init
updated Jan 16, 2024
Updates

tutorial-dos-similarity-search!2 · created Mar 04, 2024 by Adam Fekete
- 1
- Approved
updated Mar 07, 2024
added references and reworded introduction

tutorial-kpca-soap!2 · created Mar 20, 2024 by James Darby
updated Mar 20, 2024
Refactor the final notebbok

tutorial-error-estimates-qrf!3 · created Oct 17, 2024 by Adam Fekete
updated Oct 18, 2024