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Release 1.1.0
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SGenheden committed Nov 23, 2022
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7 changes: 7 additions & 0 deletions CHANGELOG.md
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# CHANGELOG

## Version 1.1.0 - 2022-11-23

### Trivial changes

- Use RDKit from pypi
- Update dependency versions

## Version 1.0.1 - 2022-04-28

### Trivial changes
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11 changes: 10 additions & 1 deletion README.md
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Expand Up @@ -16,12 +16,21 @@ Before you begin, ensure you have met the following requirements:

* Linux, Windows or macOS platforms are supported - as long as the dependencies are supported on these platforms.

* You have installed [anaconda](https://www.anaconda.com/) or [miniconda](https://docs.conda.io/en/latest/miniconda.html) with python 3.6 to 3.8
* You have installed [anaconda](https://www.anaconda.com/) or [miniconda](https://docs.conda.io/en/latest/miniconda.html) with python 3.8 to 3.9

The tool has been developed on a Linux platform, but the software has been tested on Windows 10 and macOS Catalina.

## Installation

### For users

Setup your python environment and then run

pip install route_distances


### For developers

First clone the repository using Git.

Then execute the following commands in the root of the repository
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5 changes: 2 additions & 3 deletions conda-env.yml
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- https://conda.anaconda.org/conda-forge
- defaults
dependencies:
- python>=3.6,<3.10
- rdkit=>2019.09.1
- poetry>=1.1.4,<2.0
- python>=3.8,<3.10
- poetry>=1.1.4,<2.0
4 changes: 2 additions & 2 deletions docs/conf.py
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sys.path.insert(0, os.path.abspath("."))

project = "route-distances"
copyright = "2021, Molecular AI group"
copyright = "2021-2022, Molecular AI group"
author = "Molecular AI group"
release = "1.0.1"
release = "1.1.0"

extensions = [
"sphinx.ext.autodoc",
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