Commit 6b63d9df authored by nd-02110114's avatar nd-02110114
Browse files

📝 fix docs

parent 299749e7
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+11 −3
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@@ -66,6 +66,9 @@ DeepChem has a number of "soft" requirements. These are packages which are neede

### Install via conda (Recommendation)

RDKit is a soft requirement package, but many useful methods like molnet are dependent on it.
If you use conda, we recommend installing RDKit with deepchem.

`deepchem>=2.4.0`

Coming soon...
@@ -74,14 +77,14 @@ Coming soon...

```bash
pip install tensorflow==1.14
conda install -c rdkit -c conda-forge -c omnia deepchem==2.3.0
conda install -c rdkit -c conda-forge rdkit deepchem==2.3.0
```

If you want GPU support:

```bash
pip install tensorflow-gpu==1.14
conda install -c rdkit -c conda-forge -c omnia deepchem==2.3.0
conda install -c rdkit -c conda-forge rdkit deepchem==2.3.0
```

### Install via pip (WIP)
@@ -131,6 +134,7 @@ Check if there is a `(base)` in your command line. If not, use `conda init bash`
```
conda activate deepchem
python setup.py install
pytest -m "not slow"
```

Check [this link](https://conda.io/projects/conda/en/latest/user-guide/install/index.html) for more information about the installation of conda environments.
@@ -149,13 +153,17 @@ Check if there is a `(base)` before `PS` in powershell. If not, use `conda init
```bash
conda activate deepchem
python setup.py install
pytest -m "not slow"
```

### Install using a Docker (WIP)

### Build the image from Dockerfile

We prepare for [sample Dockerfiles](https://github.com/deepchem/deepchem/tree/master/docker) to install deepchem from source codes and conda package manager. Please check them!
We created [sample Dockerfiles](https://github.com/deepchem/deepchem/tree/master/docker) based on the `nvidia/cuda:10.1-cudnn7-devel` image.  
If you want to build your own deepchem environment, these files may be helpful.  
- `docker/x.x.x` : build an image by using conda package manager (x.x.x is a version of deepchem)  
- `docker/master` : build an image from master branch of deepchem source codes

### Use the official deepchem image (WIP)

+1 −1
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@@ -19,7 +19,7 @@ RUN conda update -n base conda && \
    . /miniconda/etc/profile.d/conda.sh && \
    conda activate deepchem && \
    pip install tensorflow-gpu==1.14 \
    conda install -c rdkit -c conda-forge -c omnia deepchem==2.3.0 && \
    conda install -c rdkit -c conda-forge rdkit deepchem==2.3.0 && \
    conda clean -afy && \
    rm -rf ~/.cache/pip