changes (47dd611f) · Commits · 钟慕尧 / deepchem

.github/workflows/common_setup.yml

+5 −5

Original line number	Diff line number	Diff line
		@@ -12,7 +12,7 @@ jobs:
		strategy:
		fail-fast: false
		matrix:
		python-version: [3.7]
		python-version: [3.7, 3.8, 3.9]
		steps:
		- uses: actions/checkout@v2
		- name: Cache pip modules for Linux
		@@ -38,11 +38,11 @@ jobs:
		strategy:
		fail-fast: false
		matrix:
		os: [ubuntu-latest, windows-latest]
		python-version: [3.7]
		os: [ubuntu-latest]
		python-version: [3.7, 3.8, 3.9]
		include:
		- os: ubuntu-latest
		python-version: 3.8
		- os: windows-latest
		python-version: 3.7
		env:
		OS: ${{ matrix.os }}
		PYTHON_VERSION: ${{ matrix.python-version }}

.github/workflows/jax_setup.yml

+2 −5

Original line number	Diff line number	Diff line
		@@ -12,7 +12,7 @@ jobs:
		strategy:
		fail-fast: false
		matrix:
		python-version: [3.7]
		python-version: [3.7, 3.8, 3.9]
		steps:
		- uses: actions/checkout@v2
		- name: Cache pip modules for Linux
		@@ -39,10 +39,7 @@ jobs:
		fail-fast: false
		matrix:
		os: [ubuntu-latest]
		python-version: [3.7]
		include:
		- os: ubuntu-latest
		python-version: 3.8
		python-version: [3.7, 3.8, 3.9]
		env:
		OS: ${{ matrix.os }}
		PYTHON_VERSION: ${{ matrix.python-version }}

.github/workflows/tensorflow_setup.yml

+4 −4

Original line number	Diff line number	Diff line
		@@ -12,7 +12,7 @@ jobs:
		strategy:
		fail-fast: false
		matrix:
		python-version: [3.7, 3.8]
		python-version: [3.7, 3.8, 3.9]
		steps:
		- uses: actions/checkout@v2
		- name: Cache pip modules for Linux
		@@ -38,10 +38,10 @@ jobs:
		strategy:
		fail-fast: false
		matrix:
		os: [ubuntu-latest, windows-latest]
		python-version: [3.7, 3.8]
		os: [ubuntu-latest]
		python-version: [3.6, 3.7, 3.8, 3.9]
		include:
		- os: ubuntu-latest
		- os: windows-latest
		python-version: 3.6
		env:
		OS: ${{ matrix.os }}

.github/workflows/torch_setup.yml

+5 −5

Original line number	Diff line number	Diff line
		@@ -12,7 +12,7 @@ jobs:
		strategy:
		fail-fast: false
		matrix:
		python-version: [3.7]
		python-version: [3.7, 3.8, 3.9]
		steps:
		- uses: actions/checkout@v2
		- name: Cache pip modules for Linux
		@@ -38,11 +38,11 @@ jobs:
		strategy:
		fail-fast: false
		matrix:
		os: [ubuntu-latest, windows-latest]
		python-version: [3.7]
		os: [ubuntu-latest]
		python-version: [3.7, 3.8, 3.9]
		include:
		- os: ubuntu-latest
		python-version: 3.8
		- os: windows-latest
		python-version: 3.7
		env:
		OS: ${{ matrix.os }}
		PYTHON_VERSION: ${{ matrix.python-version }}

README.md

+5 −14

Original line number	Diff line number	Diff line
		@@ -19,7 +19,6 @@ materials science, quantum chemistry, and biology.
		- [Requirements](#requirements)
		- [Installation](#installation)
		- [Stable version](#stable-version)
		- [Latest version](#latest-version)
		- [Nightly build version](#nightly-build-version)
		- [Docker](#docker)
		- [From source](#from-source)
		@@ -32,7 +31,7 @@ materials science, quantum chemistry, and biology.

		## Requirements

		DeepChem currently supports Python 3.6 through 3.7 and requires these packages on any condition.
		DeepChem currently supports Python 3.7 through 3.8 and requires these packages on any condition.

		- [joblib](https://pypi.python.org/pypi/joblib)
		- [NumPy](https://numpy.org/)
		@@ -78,7 +77,8 @@ We recommend installing RDKit with deepchem if you use conda.
		conda install -y -c conda-forge rdkit
		```

		### Latest version
		### Nightly build version
		The nightly version is built by the HEAD of DeepChem.

		For using general utilites like Molnet, Featurisers, Datasets, etc, then, you install deepchem via pip.

		@@ -86,7 +86,7 @@ For using general utilites like Molnet, Featurisers, Datasets, etc, then, you in
		pip install --pre deepchem
		```
		Deepchem provides support for tensorflow, pytorch, jax and each require
		a induvidual pip Installation.
		a individual pip Installation.

		For using models with tensorflow dependencies, you install using

		@@ -103,21 +103,12 @@ For using models with jax dependencies, you install using
		```bash
		pip install --pre deepchem[jax]
		```
		If GPU support is required, then make sure its cuda packages installed and then install the NN library using the below links before installing deepchem
		If GPU support is required, then make sure CUDA is installed and then install the desired deep learning framework using the links below before installing deepchem

		1. tensorflow - just cuda installed
		2. pytorch - https://pytorch.org/get-started/locally/#start-locally
		3. jax - https://github.com/google/jax#pip-installation-gpu-cuda

		### Nightly build version

		The nightly version is built by the HEAD of DeepChem.

		```bash
		pip install tensorflow~=2.4
		pip install --pre deepchem
		```

		### Docker

		If you want to install deepchem using a docker, you can pull two kinds of images.

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