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Publish to PyPI #52

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janosh opened this issue Jul 21, 2024 · 1 comment
Closed

Publish to PyPI #52

janosh opened this issue Jul 21, 2024 · 1 comment

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@janosh
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janosh commented Jul 21, 2024

opening this to keep track of the PyPI release for SevenNet mentioned here

@YutackPark
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Thank you for your patience. SevenNet is now released on PyPI. I have replaced torch_scatter, which required manual installation steps, with pure PyTorch functions. With PyTorch installed, SevenNet can now be installed via pip.

You may be interested in pre-trained models. Our model, which is around 10 MB, is included in the project itself as a data file. It can be loaded, for example, as an ASE calculator:

from sevenn.sevennet_calculator import SevenNetCalculator
sevenet_0_cal = SevenNetCalculator("7net-0_11July2024", device='cpu')

Let me know if you need any further suggestions!

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