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Add project: ASE ecosystem #410

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Irratzo opened this issue Feb 22, 2025 · 0 comments
Open

Add project: ASE ecosystem #410

Irratzo opened this issue Feb 22, 2025 · 0 comments
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add-project Add new project to best-of list

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@Irratzo
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Irratzo commented Feb 22, 2025

Project details:

Additional context:

Many major atomistic ML packages listed here. This is valuable knowledge for AML.

Found via https://www.cecam.org/workshop-details/the-atomic-simulation-environment-ecosystem-present-and-perspectives-1373

[...] ASE is increasingly used as a lingua Franca for MLIP fitting and evaluation: for example the GAP, ACE, MACE, CHGNET, M3GNET, ALIGNFF and NEQUIP codes all use ASE to name but few, and the OpenKIM knowledge base of interatomic models is strongly interfaced to ASE. [...]

@Irratzo Irratzo added the add-project Add new project to best-of list label Feb 22, 2025
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