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Add version info
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SGenheden committed Mar 12, 2024
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11 changes: 11 additions & 0 deletions CHANGELOG.md
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# CHANGELOG

## Version 1.4.0 - 2024-03-12

### Features

- Adding support reading and processing routes
- Extracting co-reactant for ChemicalReaction class

### Trivial changes

- Making help for pipeline runner more simple

## Version 1.3.0 - 2024-01-09

### Features
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1 change: 1 addition & 0 deletions README.md
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Expand Up @@ -52,6 +52,7 @@ The package is divided into (currently) three sub-packages:
* `chem` - chemistry routines like template extraction or reaction cleaning
* `data` - routines for manipulating various reaction data sources
* `pipeline` - routines for building and executing simple pipelines for modifying and analyzing reactions
* `routes` - routines for handling synthesis routes

The full auto-generated API document is available [here](https://molecularai.github.io/reaction_utils/), and the documentation also provides a few examples on common tasks.

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2 changes: 1 addition & 1 deletion docs/conf.py
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project = "ReactionUtils"
copyright = "2022, Molecular AI group"
author = "Molecular AI group"
release = "1.3.0"
release = "1.4.0"

extensions = [
"sphinx.ext.autodoc",
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2 changes: 1 addition & 1 deletion pyproject.toml
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[tool.poetry]
name = "reaction_utils"
version = "1.3.0"
version = "1.4.0"
description = "Utilities for working with reactions, reaction templates and template extraction"
authors = ["Genheden, Samuel <[email protected]>", "Kannas, Christos <[email protected]>"]
license = "Apache-2.0"
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