Commit bf12a3ee authored by nd-02110114's avatar nd-02110114
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📝 update readme

parent 175c282f
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@@ -48,11 +48,14 @@ DeepChem requires these packages on any condition.
DeepChem has a number of "soft" requirements. These are packages which are needed for various submodules of DeepChem but not for the package as a whole.

- [BioPython](https://biopython.org/wiki/Documentation)
- [OpenAI Gym](https://gym.openai.com/)
- [MDTraj](http://mdtraj.org/)
- [NetworkX](https://networkx.github.io/documentation/stable/index.html)
- [OpenMM](http://openmm.org/)
- [PDBFixer](https://github.com/pandegroup/pdbfixer)
- [Pillow](https://pypi.org/project/Pillow/)
- [pyGPGO](https://pygpgo.readthedocs.io/en/latest/)
- [PyTorch](https://pytorch.org/)
- [RDKit](http://www.rdkit.org/docs/Install.html)
- [simdna](https://github.com/kundajelab/simdna)
- [XGBoost](https://xgboost.readthedocs.io/en/latest/)
@@ -68,14 +71,14 @@ Coming soon...
`deepchem<2.4.0`

```bash
pip install tensorflow==1.15
pip install tensorflow==1.14
conda install -c rdkit -c conda-forge -c omnia deepchem==2.3.0
```

If you want GPU support:

```bash
pip install tensorflow-gpu==1.15
pip install tensorflow-gpu==1.14
conda install -c rdkit -c conda-forge -c omnia deepchem==2.3.0
```

@@ -91,13 +94,13 @@ Coming soon...
`deepchem<2.4.0`

```bash
pip install pandas pillow scikit-learn==0.22 tensorflow==1.15 deepchem==2.2.1.dev54
pip install pandas pillow scikit-learn==0.22 tensorflow==1.14 deepchem==2.2.1.dev54
```

If you want GPU support:

```bash
pip install pandas pillow scikit-learn==0.22 tensorflow-gpu==1.15 deepchem==2.2.1.dev54
pip install pandas pillow scikit-learn==0.22 tensorflow-gpu==1.14 deepchem==2.2.1.dev54
```

### Install from source
@@ -126,7 +129,7 @@ If not, use `conda init bash` to activate it, then:

```
conda activate deepchem
python setup.py install                                # Manual install
python setup.py install
```

Check [this link](https://conda.io/projects/conda/en/latest/user-guide/install/index.html) for more information about the installation of conda environments.
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