:pencil: uupdate docs (8f965bb8) · Commits · 钟慕尧 / deepchem

README.md

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		@@ -162,30 +162,35 @@ docker pull deepchemio/deepchem:2.3.0
		Then, you create a container based on the image.

		```bash
		docker run -it deepchemio/deepchem:2.3.0
		docker run --rm -it deepchemio/deepchem:2.3.0
		```

		If you want GPU support:

		```bash
		# If nvidia-docker is installed
		nvidia-docker run -it deepchemio/deepchem:2.3.0
		docker run --runtime nvidia -it deepchemio/deepchem:2.3.0
		nvidia-docker run --rm -it deepchemio/deepchem:2.3.0
		docker run --runtime nvidia --rm -it deepchemio/deepchem:2.3.0

		# If nvidia-container-toolkit is installed
		docker run --gpus all -it deepchemio/deepchem:2.3.0
		docker run --gpus all --rm -it deepchemio/deepchem:2.3.0
		```

		You are now in a docker container whose python has deepchem installed.
		You are now in a docker container which deepchem was installed. You can start playing with it in the command line.

		```bash
		# you can start playing with it in the command line
		python
		import deepchem as dc
		```
		(deepchem) root@xxxxxxxxxxxxx:~/mydir# python
		Python 3.6.10 \|Anaconda, Inc.\| (default, May 8 2020, 02:54:21)
		[GCC 7.3.0] on linux
		Type "help", "copyright", "credits" or "license" for more information.
		>>> import deepchem as dc
		```

		# you can run our tox21 benchmark
		cd /deepchem/examples
		python benchmark.py -d tox21
		If you want to check the tox21 benchmark:

		```bash
		(deepchem) root@xxxxxxxxxxxxx:~/mydir# wget https://raw.githubusercontent.com/deepchem/deepchem/master/examples/benchmark.py
		(deepchem) root@xxxxxxxxxxxxx:~/mydir# python benchmark.py -d tox21 -m graphconv -s random
		```

		## FAQ and Troubleshooting

docker/conda-forge/Dockerfile

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		FROM nvidia/cuda:10.1-cudnn7-devel
		FROM nvidia/cuda:10.0-cudnn7-devel

		# Install some utilities
		RUN apt-get update && \

docs/installation.rst

+13 −9

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		@@ -69,33 +69,37 @@ Then, you create a container based on the image.

		.. code-block:: bash

		docker run -it deepchemio/deepchem:2.3.0
		docker run --rm -it deepchemio/deepchem:2.3.0

		If you want GPU support:

		.. code-block:: bash

		# If nvidia-docker is installed
		nvidia-docker run -it deepchemio/deepchem:2.3.0
		docker run --runtime nvidia -it deepchemio/deepchem:2.3.0
		nvidia-docker run --rm -it deepchemio/deepchem:2.3.0
		docker run --runtime nvidia --rm -it deepchemio/deepchem:2.3.0

		# If nvidia-container-toolkit is installed
		docker run --gpus all -it deepchemio/deepchem:2.3.0
		docker run --gpus all --rm -it deepchemio/deepchem:2.3.0

		You are now in a docker container whose python has deepchem installed.
		You are now in a docker container which deepchem was installed.
		You can start playing with it in the command line.

		.. code-block:: bash

		# you can start playing with it in the command line
		(deepchem) root@xxxxxxxxxxx:~/mydir# python
		(deepchem) root@xxxxxxxxxxxxx:~/mydir# python
		Python 3.6.10 \|Anaconda, Inc.\| (default, May 8 2020, 02:54:21)
		[GCC 7.3.0] on linux
		Type "help", "copyright", "credits" or "license" for more information.
		>>> import deepchem as dc

		If you want to check the tox21 benchmark:

		.. code-block:: bash

		# you can run our tox21 benchmark
		(deepchem) root@xxxxxxxxxxx:~/mydir# cd /deepchem/examples
		(deepchem) root@xxxxxxxxxxx:/deepchem/examples# python benchmark.py -d tox21
		(deepchem) root@xxxxxxxxxxxxx:~/mydir# wget https://raw.githubusercontent.com/deepchem/deepchem/master/examples/benchmark.py
		(deepchem) root@xxxxxxxxxxxxx:~/mydir# python benchmark.py -d tox21 -m graphconv -s random


		Installing from Source

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