Unverified Commit f06b120a authored by Bharath Ramsundar's avatar Bharath Ramsundar Committed by GitHub
Browse files

Merge pull request #2591 from VIGNESHinZONE/docs

Adding Docs for New CI
parents 1916ff4e 47dd611f
Loading
Loading
Loading
Loading
+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 }}
+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 }}
+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 }}
+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 }}
+27 −3
Original line number Diff line number Diff line
@@ -22,6 +22,7 @@ materials science, quantum chemistry, and biology.
  - [Nightly build version](#nightly-build-version)
  - [Docker](#docker)
  - [From source](#from-source)
  - [From source lightweight](#from-source-lightweight)
- [Getting Started](#getting-started)
  - [Gitter](#gitter)
- [About Us](#about-us)
@@ -30,7 +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/)
@@ -77,13 +78,36 @@ conda install -y -c conda-forge rdkit
```

### 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.  

```bash
pip install tensorflow~=2.4
pip install --pre deepchem
```
Deepchem provides support for tensorflow, pytorch, jax and each require
a individual pip Installation.

For using models with tensorflow dependencies, you install using

```bash
pip install --pre deepchem[tensorflow]
```
For using models with torch dependencies, you install using

```bash
pip install --pre deepchem[torch]
```
For using models with jax dependencies, you install using

```bash
pip install --pre deepchem[jax]
```
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

### Docker

Loading