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OpenDAS
torchani
Commits
9ba09296
Unverified
Commit
9ba09296
authored
Nov 05, 2020
by
Gao, Xiang
Committed by
GitHub
Nov 05, 2020
Browse files
Update installation guide to mention conda (#525)
parent
52091d36
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README.md
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9ba09296
...
...
@@ -33,26 +33,25 @@ TorchANI is a pytorch implementation of ANI. It is currently under alpha release
# Install
TorchANI requires the latest preview version of PyTorch.
You can
install PyTorch b
y the following commands (assuming cuda10):
TorchANI requires the latest preview version of PyTorch.
Please
install PyTorch b
efore installing TorchANI.
```
bash
pip
install
numpy
pip
install
--pre
torch torchvision
-f
https://download.pytorch.org/whl/nightly/cu100/torch_nightly.html
```
Please see
[
PyTorch's official site
](
https://pytorch.org/get-started/locally/
)
for instructions of installing latest preview version of PyTorch.
Note that if you updated TorchANI, you may also need to update PyTorch.
If you updated
Torch
ANI
, you
may also need to update PyTorch
:
After installing the correct Py
Torch, you
can install TorchANI by
`pip`
or
`conda`
:
```
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
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
...
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docs/start.rst
View file @
9ba09296
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
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
Torch
ANI
, you
may also need to update PyTorch
:
After installing the correct Py
Torch, you
can install TorchANI by `pip` or `conda`
:
.. 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
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:
https://pytorch.org/get-started/locally/
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