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Adding M3GNet support to Atomate2 forcefields methods #379

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matthewkuner opened this issue Jun 8, 2023 · 3 comments
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Adding M3GNet support to Atomate2 forcefields methods #379

matthewkuner opened this issue Jun 8, 2023 · 3 comments
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enhancement Improvements to existing features

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@matthewkuner
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FYI: I plan to add support for M3GNet to the Atomate2 forcefields methods soon
@matthewkuner matthewkuner added the enhancement Improvements to existing features label Jun 8, 2023
@Andrew-S-Rosen
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FYI might want to consider using the model from matgl.

@matthewkuner
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FYI might want to consider using the model from matgl.

Absolutely! I was waiting for the matgl model to be released before adding it (both so that we only need the pytorch dependency and because it is now the primary place for m3gnet development)

@JaGeo JaGeo mentioned this issue Aug 9, 2023
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@matthewkuner
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Closed by #380

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@Andrew-S-Rosen @matthewkuner