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Fanwang Meng commited on
Commit ·
ac73527
1
Parent(s): fa9369b
Update the timestamp from 2022 to 2023
Browse files- doc/api/api_index.rst +1 -1
- doc/api/base.rst +1 -1
- doc/api/distance.rst +1 -1
- doc/api/diversity.rst +1 -1
- doc/api/features.rst +1 -1
- doc/api/selectors.rst +1 -1
- doc/api/utils.rst +1 -1
- pyproject.toml +19 -24
- updateheaders.py +1 -1
doc/api/api_index.rst
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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: Copyright (C)
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: This file is part of selector.
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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: Copyright (C) 2023 The QC-Devs Community
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: This file is part of selector.
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doc/api/base.rst
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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: Copyright (C)
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: This file is part of selector.
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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: Copyright (C) 2023 The QC-Devs Community
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: This file is part of selector.
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doc/api/distance.rst
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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: Copyright (C)
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: This file is part of selector.
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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:
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: Copyright (C) 2023 The QC-Devs Community
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: This file is part of selector.
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doc/api/diversity.rst
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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:
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-
: Copyright (C)
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:
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: This file is part of selector.
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:
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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:
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+
: Copyright (C) 2023 The QC-Devs Community
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: This file is part of selector.
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doc/api/features.rst
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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:
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: Copyright (C)
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:
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: This file is part of selector.
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:
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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:
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+
: Copyright (C) 2023 The QC-Devs Community
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: This file is part of selector.
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doc/api/selectors.rst
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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:
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-
: Copyright (C)
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:
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: This file is part of selector.
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:
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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:
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+
: Copyright (C) 2023 The QC-Devs Community
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:
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: This file is part of selector.
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doc/api/utils.rst
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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:
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-
: Copyright (C)
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:
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: This file is part of selector.
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:
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: The selector library provides a set of tools to select molecule
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: subset with maximum molecular diversity.
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:
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+
: Copyright (C) 2023 The QC-Devs Community
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:
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: This file is part of selector.
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pyproject.toml
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#
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#
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# requires = ["setuptools>=61.0", "wheel>=0.37.1"]
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# This example pyproject.toml is for a basic pip+setuptools setup.
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# If you use a project management tool (like Poetry), then
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# those tools will have slightly different configurations or additions.
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# I highly recommend using a project management tool for your project.
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# Project management is a highly opinionated subject.
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# There are a lot of good, robust tools in this space now (as of 2023)
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# Two that I've used and recommend are Poetry and PDM.
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# Poetry is more mature, PDM is recent, both work well.
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# - Poetry: https://python-poetry.org/
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# - PDM: https://pdm.fming.dev/latest/
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# https://gist.githubusercontent.com/GhostofGoes/75051c4aeb215bc3cf48c10f5454b399/raw/499661609846ab52b8fc7e6acf0562275ca22517/pyproject.toml
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# Resources
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#
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#
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# - https://betterprogramming.pub/a-pyproject-toml-developers-cheat-sheet-5782801fb3ed
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[project]
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# The Selector library provides a set of tools for selecting a
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# subset of the dataset and computing diversity.
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#
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# Copyright (C) 2023 The QC-Devs Community
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#
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# This file is part of Selector.
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#
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# Selector is free software; you can redistribute it and/or
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# modify it under the terms of the GNU General Public License
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# as published by the Free Software Foundation; either version 3
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# of the License, or (at your option) any later version.
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#
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# Selector is distributed in the hope that it will be useful,
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# but WITHOUT ANY WARRANTY; without even the implied warranty of
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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# GNU General Public License for more details.
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#
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# You should have received a copy of the GNU General Public License
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# along with this program; if not, see <http://www.gnu.org/licenses/>
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#
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# --
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[project]
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updateheaders.py
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# The selector library provides a set of tools to select molecule
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# subset with maximum molecular diversity.
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#
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# Copyright (C)
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#
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# This file is part of selector.
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#
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# The selector library provides a set of tools to select molecule
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# subset with maximum molecular diversity.
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#
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# Copyright (C) 2023 The QC-Devs Community
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#
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# This file is part of selector.
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#
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