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make wandb optional, update readme install instructions
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README.md

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@@ -5,7 +5,12 @@ The library emphasizes the incorporation of the semantic qualities of the ontolo
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## Installation
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To install ChEBai, follow these steps:
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You can install ChEBai via pip:
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```
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pip install chebai
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```
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Alternatively, you can get the latest development version directly from GitHub:
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1. Clone the repository:
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```
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```
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cd python-chebai
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pip install .
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pip install -e .
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```
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Some packages are not installed by default:
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```
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pip install chebai[dev]
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```
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installs additional packages useful to people who want to contribute to the library.
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```
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pip install chebai[plot]
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```
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installs additional packages useful for plotting and visualisation.
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```
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pip install chebai[wandb]
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```
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installs the [Weights & Biases](https://wandb.ai) integration for automated logging of training runs.
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```
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pip install chebai[all]
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```
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installs all optional dependencies.
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## Usage
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pyproject.toml

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@@ -9,6 +9,9 @@ description = "ChEBai is a deep learning library designed for the integration of
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authors = [
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{ name = "MGlauer", email = "[email protected]" }
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]
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maintainers = [
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{ name = "sfluegel05", email = "[email protected]"}
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]
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readme = "README.md"
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license = { text = "AGPL-3.0" }
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requires-python = ">=3.9,<3.13"
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"omegaconf",
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"deepsmiles",
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"iterative-stratification",
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"wandb",
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"torchmetrics"
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]
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[project.optional-dependencies]
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dev = ["black", "isort", "pre-commit", "matplotlib", "seaborn"]
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dev = ["black", "isort", "pre-commit"]
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plot = ["matplotlib", "seaborn"]
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wandb = ["wandb"]
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[tool.setuptools]
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include-package-data = true

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