Commit f4ca9c35 authored by Karl Leswing's avatar Karl Leswing Committed by GitHub
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Update Readme For scripts/install_deepchem_conda.sh

Update Readme For scripts/install_deepchem_conda.sh

Instead of outlining individual conda calls use script in scripts/install_deepchem_conda.sh
parent ea8a72a1
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# DeepChem
# DeepChem

DeepChem aims to provide a high quality open-source toolchain that
democratizes the use of deep-learning in drug discovery, materials science, and quantum
@@ -105,14 +105,11 @@ Installation from source is the only currently supported format. ```deepchem```
    Try running tests for one submodule at a time if memory proves an issue.

### Using a conda environment
Alternatively, you can install deepchem in a new conda environment using the following bash commands:
Alternatively, you can install deepchem in a new conda environment using the conda commands in scripts/install_deepchem_conda.sh

```bash
conda create -n deepchem python=3.5 -y                  # Create new env
source activate deepchem                                # Activate it
conda install -c omnia openbabel=2.4.0 rdkit mdtraj -y  # Installs from omnia channel
conda install joblib scikit-learn -y                    # Installs from default channel
pip install six tensorflow-gpu nose                     # Pip installs
bash scripts/install_deepchem_conda.sh deepchem
pip install tensorflow-gpu==0.12.1                      # If you want GPU support
git clone https://github.com/deepchem/deepchem.git      # Clone deepchem source code from GitHub
cd deepchem
python setup.py install                                 # Manual install