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Unverified Commit 9ba09296 authored by Gao, Xiang's avatar Gao, Xiang Committed by GitHub
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Update installation guide to mention conda (#525)

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README.md
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...@@ -33,26 +33,25 @@ TorchANI is a pytorch implementation of ANI. It is currently under alpha release ...@@ -33,26 +33,25 @@ TorchANI is a pytorch implementation of ANI. It is currently under alpha release
# Install # Install
TorchANI requires the latest preview version of PyTorch. You can install PyTorch by the following commands (assuming cuda10): TorchANI requires the latest preview version of PyTorch. Please install PyTorch before installing TorchANI.
```bash Please see [PyTorch's official site](https://pytorch.org/get-started/locally/) for instructions of installing latest preview version of PyTorch.
pip install numpy
pip install --pre torch torchvision -f https://download.pytorch.org/whl/nightly/cu100/torch_nightly.html Note that if you updated TorchANI, you may also need to update PyTorch.
```
If you updated TorchANI, you may also need to update PyTorch: After installing the correct PyTorch, you can install TorchANI by `pip` or `conda`:
```bash ```bash
pip install --upgrade --pre torch torchvision -f https://download.pytorch.org/whl/nightly/cu100/torch_nightly.html pip install torchani
``` ```
After installing the correct PyTorch, you can install TorchANI by: or
```bash ```bash
pip install torchani conda install -c conda-forge torchani
``` ```
See also [PyTorch's official site](https://pytorch.org/get-started/locally/) for instructions of installing latest preview version of PyTorch. See https://github.com/conda-forge/torchani-feedstock for more information about the conda package.
To run the tests and examples, you must manually download a data package To run the tests and examples, you must manually download a data package
......
docs/start.rst
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Installation Installation
============ ============
TorchANI requires the latest preview version of PyTorch. You can install PyTorch by the following commands (assuming cuda10): TorchANI requires the latest preview version of PyTorch.
.. code-block:: bash Please see `PyTorch's official site`_ for instructions of installing latest preview version of PyTorch.
pip install numpy Note that if you updated TorchANI, you may also need to update PyTorch.
pip install --pre torch torchvision -f https://download.pytorch.org/whl/nightly/cu100/torch_nightly.html
If you updated TorchANI, you may also need to update PyTorch: After installing the correct PyTorch, you can install TorchANI by `pip` or `conda`:
.. code-block:: bash .. code-block:: bash
pip install --pre torch torchvision -f https://download.pytorch.org/whl/nightly/cu100/torch_nightly.html pip install torchani
After installing the correct PyTorch, you can install TorchANI by: or
.. code-block:: bash .. code-block:: bash
pip install torchani conda install -c conda-forge torchani
See also `PyTorch's official site`_ for instructions of installing latest preview version of PyTorch. See https://github.com/conda-forge/torchani-feedstock for more information about the conda package.
.. _PyTorch's official site: .. _PyTorch's official site:
https://pytorch.org/get-started/locally/ https://pytorch.org/get-started/locally/
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