Loading README.md +3 −3 Original line number Diff line number Diff line Loading @@ -72,14 +72,14 @@ RDKit is a soft requirement package, but many useful methods like molnet depend ```bash pip install tensorflow==1.14 conda install -y -c rdkit -c conda-forge rdkit deepchem==2.3.0 conda install -y -c conda-forge rdkit deepchem==2.3.0 ``` If you want GPU support: ```bash pip install tensorflow-gpu==1.14 conda install -y -c rdkit -c conda-forge rdkit deepchem==2.3.0 conda install -y -c conda-forge rdkit deepchem==2.3.0 ``` ### Nightly build version Loading @@ -94,7 +94,7 @@ pip install --pre deepchem RDKit is a soft requirement package, but many useful methods like molnet depend on it. We recommend installing RDKit with deepchem if you use conda. ```bash conda install -y -c rdkit rdkit conda install -y -c conda-forge rdkit ``` ### Docker Loading docker/conda-forge/Dockerfile +1 −1 Original line number Diff line number Diff line Loading @@ -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 rdkit deepchem==2.3.0 && \ conda install -c conda-forge rdkit deepchem==2.3.0 && \ conda clean -afy && \ rm -rf ~/.cache/pip Loading docs/index.rst +2 −2 Original line number Diff line number Diff line Loading @@ -59,14 +59,14 @@ molnet depend on it. .. code-block:: bash pip install tensorflow-gpu==1.14 conda install -y -c rdkit -c conda-forge rdkit deepchem conda install -y -c conda-forge rdkit deepchem For CPU only support instead run .. code-block:: bash pip install tensorflow==1.14 conda install -y -c rdkit -c conda-forge rdkit deepchem conda install -y -c conda-forge rdkit deepchem Then open your python and try running. Loading docs/installation.rst +3 −3 Original line number Diff line number Diff line Loading @@ -24,14 +24,14 @@ molnet depend on it. .. code-block:: bash pip install tensorflow-gpu==1.14 conda install -y -c rdkit -c conda-forge rdkit deepchem conda install -y -c conda-forge rdkit deepchem For CPU only support instead run .. code-block:: bash pip install tensorflow==1.14 conda install -y -c rdkit -c conda-forge rdkit deepchem conda install -y -c conda-forge rdkit deepchem Nightly build version Loading @@ -52,7 +52,7 @@ with deepchem if you use conda. .. code-block:: bash conda install -y -c rdkit rdkit conda install -y -c conda-forge rdkit Docker Loading docs/requirements.rst +1 −1 Original line number Diff line number Diff line Loading @@ -69,7 +69,7 @@ DeepChem has a number of "soft" requirements. | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `RDKit`_ | 2020.03.3.0 | | | `RDKit`_ | 2020.03.4 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ Loading Loading
README.md +3 −3 Original line number Diff line number Diff line Loading @@ -72,14 +72,14 @@ RDKit is a soft requirement package, but many useful methods like molnet depend ```bash pip install tensorflow==1.14 conda install -y -c rdkit -c conda-forge rdkit deepchem==2.3.0 conda install -y -c conda-forge rdkit deepchem==2.3.0 ``` If you want GPU support: ```bash pip install tensorflow-gpu==1.14 conda install -y -c rdkit -c conda-forge rdkit deepchem==2.3.0 conda install -y -c conda-forge rdkit deepchem==2.3.0 ``` ### Nightly build version Loading @@ -94,7 +94,7 @@ pip install --pre deepchem RDKit is a soft requirement package, but many useful methods like molnet depend on it. We recommend installing RDKit with deepchem if you use conda. ```bash conda install -y -c rdkit rdkit conda install -y -c conda-forge rdkit ``` ### Docker Loading
docker/conda-forge/Dockerfile +1 −1 Original line number Diff line number Diff line Loading @@ -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 rdkit deepchem==2.3.0 && \ conda install -c conda-forge rdkit deepchem==2.3.0 && \ conda clean -afy && \ rm -rf ~/.cache/pip Loading
docs/index.rst +2 −2 Original line number Diff line number Diff line Loading @@ -59,14 +59,14 @@ molnet depend on it. .. code-block:: bash pip install tensorflow-gpu==1.14 conda install -y -c rdkit -c conda-forge rdkit deepchem conda install -y -c conda-forge rdkit deepchem For CPU only support instead run .. code-block:: bash pip install tensorflow==1.14 conda install -y -c rdkit -c conda-forge rdkit deepchem conda install -y -c conda-forge rdkit deepchem Then open your python and try running. Loading
docs/installation.rst +3 −3 Original line number Diff line number Diff line Loading @@ -24,14 +24,14 @@ molnet depend on it. .. code-block:: bash pip install tensorflow-gpu==1.14 conda install -y -c rdkit -c conda-forge rdkit deepchem conda install -y -c conda-forge rdkit deepchem For CPU only support instead run .. code-block:: bash pip install tensorflow==1.14 conda install -y -c rdkit -c conda-forge rdkit deepchem conda install -y -c conda-forge rdkit deepchem Nightly build version Loading @@ -52,7 +52,7 @@ with deepchem if you use conda. .. code-block:: bash conda install -y -c rdkit rdkit conda install -y -c conda-forge rdkit Docker Loading
docs/requirements.rst +1 −1 Original line number Diff line number Diff line Loading @@ -69,7 +69,7 @@ DeepChem has a number of "soft" requirements. | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `RDKit`_ | 2020.03.3.0 | | | `RDKit`_ | 2020.03.4 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ Loading
