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update doc for install 0.1.0
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docs/source/conf.py

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project = 'torch-molecule'
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copyright = '2025, Gang Liu'
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author = 'Gang Liu'
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release = '0.1.0'
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release = '(0.1.0)'
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# -- General configuration ---------------------------------------------------
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# https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration

docs/source/install.rst

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Installation
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============
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To install ``torch-molecule``, follow these steps:
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This document explains how to install ``torch-molecule`` and any extra packages you may need.
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1. **Create a Conda environment**::
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Installation Steps
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------------------
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.. code-block:: bash
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Follow these steps in order.
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conda create --name torch_molecule python=3.11.7
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conda activate torch_molecule
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Create a Conda Environment
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~~~~~~~~~~~~~~~~~~~~~~~~~~
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2. **Install using pip (0.1.0)**::
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.. code-block:: bash
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.. code-block:: bash
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conda create --name torch_molecule python=3.11.7
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conda activate torch_molecule
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pip install torch-molecule
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a. Install via pip
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~~~~~~~~~~~~~~~~~~
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3. **Install from source for the latest version**:
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.. code-block:: bash
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Clone the repository::
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pip install torch-molecule
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.. code-block:: bash
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b. Install from Source (Latest Version)
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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git clone https://github.com/liugangcode/torch-molecule
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cd torch-molecule
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.. code-block:: bash
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Install::
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git clone https://github.com/liugangcode/torch-molecule
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cd torch-molecule
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.. code-block:: bash
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Then install:
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.. code-block:: bash
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pip install .
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pip install .
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c. Editable Install for Development
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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4. **Install editable ``torch_molecule`` (for development)**:
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To work on the code directly, install in "editable" mode.
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Clone the repository::
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1. Clone the repository (if you have not already):
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.. code-block:: bash
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git clone https://github.com/liugangcode/torch-molecule
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cd torch-molecule
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Install the requirements::
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2. Install the dependencies:
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.. code-block:: bash
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pip install -r requirements.txt
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Editable install::
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3. Install in editable mode:
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.. code-block:: bash
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Additional Packages
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-------------------
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Some models require extra libraries. Install these packages if you use the corresponding model:
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+------------------------------+-------------------+
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| Model | Required Packages |
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| Model | Required Package |
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+==============================+===================+
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| HFPretrainedMolecularEncoder | transformers |
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+------------------------------+-------------------+

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