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chore: update package description
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docs/source/index.rst

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=====
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|aidsorb| is a :fa:`python; fa-fade` Python package for **deep learning on
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molecular point clouds**.
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porous materials**.
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.. grid:: 4
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pyproject.toml

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]
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license = "GPL-3.0-only"
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description = "Python package for deep learning on molecular point clouds."
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description = "Python package for deep learning on porous materials."
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readme = "README.md"
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requires-python = ">=3.11"
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classifiers = [
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"jsonargparse[signatures]>=4.39.0",
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"torchmetrics>=1.7.1",
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"numpy>=1.26.4",
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"pymoxel>=0.5.0.post0",
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"pymoxel>=0.5.0.post2",
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]
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[project.urls]

src/aidsorb/__init__.py

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r"""
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**AIdsorb** is a :fa:`python; fa-fade` Python package for **deep learning on
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molecular point clouds**.
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.. admonition:: AIdsorb adopts the following conventions
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* A ``pcd`` is represented as a :class:`~numpy.ndarray` or
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:class:`~torch.Tensor` of shape ``(N, 3+C)``.
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* A molecular ``pcd`` is represented as a :class:`~numpy.ndarray` or
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:class:`~torch.Tensor` of shape ``(N, 4+C)``, where ``N`` is the number of
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atoms, ``pcd[:, :3]`` are the **atomic coordinates**, ``pcd[:, 3]`` are
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the **atomic numbers** and ``pcd[:, 4:]`` any **additional features**. If
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``C == 0``, then the only features are the atomic numbers.
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porous materials**.
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"""
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__author__ = 'Antonios P. Sarikas'

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