dmlc--dgl
Mufei Li
65 行
1.5 KiB
ReStructuredText
65 行
1.5 KiB
ReStructuredText
Install DGL-LifeSci
|
|
===================
|
|
|
|
This topic explains how to install DGL-LifeSci. We recommend installing DGL-LifeSci by using ``conda`` or ``pip``.
|
|
|
|
System requirements
|
|
-------------------
|
|
DGL-LifeSci works with the following operating systems:
|
|
|
|
* Ubuntu 16.04
|
|
* macOS X
|
|
* Windows 10
|
|
|
|
DGL-LifeSci requires:
|
|
|
|
* Python 3.6 or later
|
|
* `DGL 0.4.3 or later <https://www.dgl.ai/pages/start.html>`_
|
|
* `PyTorch 1.2.0 or later <https://pytorch.org/>`_
|
|
|
|
If you have just installed DGL, the first time you use it, a message will pop up as follows:
|
|
|
|
.. code:: bash
|
|
|
|
DGL does not detect a valid backend option. Which backend would you like to work with?
|
|
Backend choice (pytorch, mxnet or tensorflow):
|
|
|
|
and you need to enter ``pytorch``.
|
|
|
|
Additionally, we require **RDKit 2018.09.3** for cheminformatics. We recommend installing it with
|
|
|
|
.. code:: bash
|
|
|
|
conda install -c conda-forge rdkit==2018.09.3
|
|
|
|
Other verions of RDKit are not tested.
|
|
|
|
Install from conda
|
|
----------------------
|
|
If ``conda`` is not yet installed, get either `miniconda <https://conda.io/miniconda.html>`_ or
|
|
the full `anaconda <https://www.anaconda.com/download/>`_.
|
|
|
|
.. code:: bash
|
|
|
|
conda install -c dglteam dgllife
|
|
|
|
Install from pip
|
|
----------------
|
|
|
|
.. code:: bash
|
|
|
|
pip install dgllife
|
|
|
|
.. _install-from-source:
|
|
|
|
Install from source
|
|
-------------------
|
|
|
|
To use the latest experimental features,
|
|
|
|
.. code:: bash
|
|
|
|
git clone https://github.com/dmlc/dgl.git
|
|
cd apps/life_sci/python
|
|
python setup.py install
|