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ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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Update install instructions for conda-forge #313

Open jthorton opened 5 months ago

jthorton commented 5 months ago

Is your feature request related to a problem? Please describe. Now that mace is available with all dependencies via conda-forge as pymace it would be great to have the install instructions also updated!

ilyes319 commented 5 months ago

Yes we should do that, I am wondering why the name is pymace @davkovacs, I thought we were going for mace-torch just like pypi.

jthorton commented 3 months ago

It looks like someone from the community made the conda-package, is the plan to also create mace-torch or should we just reach out and also become maintainers of pymace and promote that installation pathway?

gabor1 commented 3 months ago

it would be better to keep mace-torch as the name

ilyes319 commented 3 months ago

We should make it mace-torch and ask the person making pymace to remove the package.

jthorton commented 3 months ago

Okay you should be able to copy the recipe of pymace and change the name to mace-torch and add that, note you might need to add something which does not allow people to install them both at the same time as well.