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updated the version to 3.1
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adalke committed Nov 28, 2023
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9 changes: 5 additions & 4 deletions README.md
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# mmpdb 3.0 - matched molecular pair database generation and analysis
# mmpdb 3.1 - matched molecular pair database generation and analysis


## Synopsis
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## Installation

mmpdb 3.0 must be installed before use. (Earlier versions of mmpdb
mmpdb 3.1 must be installed before use. (Earlier versions of mmpdb
could be run in-place, in the top-level directory.) This will also
ensure that the SciPy, peewee, and click packages are installed.

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## Requirements

The package has been tested on Python 3.9.
The package has been tested on Python 3.9 and 3.10. It should work
under newer versions of Python.

You will need a copy of the RDKit cheminformatics toolkit, available
from http://rdkit.org/ , which in turn requires NumPy. You will also
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## Copyright
The mmpdb package is copyright 2015-2022 by F. Hoffmann-La Roche Ltd
The mmpdb package is copyright 2015-2023 by F. Hoffmann-La Roche Ltd
and Andrew Dalke Scientific AB, and distributed under the 3-clause BSD
license. See [LICENSE](LICENSE) for details.
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2 changes: 1 addition & 1 deletion mmpdblib/__init__.py
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__version__ = "3.0"
__version__ = "3.1"
2 changes: 1 addition & 1 deletion setup.cfg
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[metadata]
name = mmpdb
version = 3.0
version = 3.1
description = A package to identify matched molecular pairs and use them to predict property changes
author = Andrew Dalke
author_email = [email protected]
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