Loading docs/index.rst +1 −1 Original line number Diff line number Diff line Loading @@ -123,9 +123,9 @@ discussions about research, development or any general questions. If you'd like :caption: Table of Contents :name: mastertoc Introduction <index> Tutorial <tutorial> Installation <installation> Requirements <requirements> Datasets <datasets> Data Loaders <dataloaders> Featurizers <featurizers> Loading docs/requirements.rst 0 → 100644 +110 −0 Original line number Diff line number Diff line Requirements ------------ Hard requirements ^^^^^^^^^^^^^^^^^ DeepChem currently supports Python 3.5 through 3.7 and requires these packages on any condition. - `joblib`_ - `NumPy`_ - `pandas`_ - `scikit-learn`_ - `SciPy`_ - `TensorFlow`_ - `deepchem>=2.4.0` requires tensorflow v2 - `deepchem<2.4.0` requires tensorflow v1 Soft requirements ^^^^^^^^^^^^^^^^^ DeepChem has a number of "soft" requirements. +--------------------------------+---------------+----------------------------------------+ | Package name | version | Modules that use this packages | +================================+===============+========================================+ | `BioPython`_ | 1.77 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `OpenAI Gym`_ | Not Testing | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `matminer`_ | 1.77 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `MDTraj`_ | 1.9.4 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `NetworkX`_ | 2.2 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `OpenMM`_ | 7.4.2 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `PDBFixer`_ | 1.6 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `Pillow`_ | 1.77 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `pyGPGO`_ | 7.1.2 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `Pymatgen`_ | 2020.7.3 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `PyTorch`_ | | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `RDKit`_ | 2020.03.3.0 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `Tensorflow Probability`_ | 0.10 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `XGBoost`_ | 1.1.1 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `Weights & Biases`_ | Not Testing | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ .. _`joblib`: https://pypi.python.org/pypi/joblib .. _`NumPy`: https://numpy.org/ .. _`pandas`: http://pandas.pydata.org/ .. _`scikit-learn`: https://scikit-learn.org/stable/ .. _`SciPy`: https://www.scipy.org/ .. _`TensorFlow`: https://www.tensorflow.org/ .. _`BioPython`: https://biopython.org/wiki/Documentation .. _`OpenAI Gym`: https://gym.openai.com/ .. _`matminer`: https://hackingmaterials.lbl.gov/matminer/ .. _`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/ .. _`Pymatgen`: https://pymatgen.org/ .. _`PyTorch`: https://pytorch.org/ .. _`RDKit`: http://www.rdkit.org/ocs/Install.html .. _`simdna`: https://github.com/kundajelab/simdna .. _`Tensorflow Probability`: https://www.tensorflow.org/probability .. _`XGBoost`: https://xgboost.readthedocs.io/en/latest/ .. _`Weights & Biases`: https://docs.wandb.com/ Loading
docs/index.rst +1 −1 Original line number Diff line number Diff line Loading @@ -123,9 +123,9 @@ discussions about research, development or any general questions. If you'd like :caption: Table of Contents :name: mastertoc Introduction <index> Tutorial <tutorial> Installation <installation> Requirements <requirements> Datasets <datasets> Data Loaders <dataloaders> Featurizers <featurizers> Loading
docs/requirements.rst 0 → 100644 +110 −0 Original line number Diff line number Diff line Requirements ------------ Hard requirements ^^^^^^^^^^^^^^^^^ DeepChem currently supports Python 3.5 through 3.7 and requires these packages on any condition. - `joblib`_ - `NumPy`_ - `pandas`_ - `scikit-learn`_ - `SciPy`_ - `TensorFlow`_ - `deepchem>=2.4.0` requires tensorflow v2 - `deepchem<2.4.0` requires tensorflow v1 Soft requirements ^^^^^^^^^^^^^^^^^ DeepChem has a number of "soft" requirements. +--------------------------------+---------------+----------------------------------------+ | Package name | version | Modules that use this packages | +================================+===============+========================================+ | `BioPython`_ | 1.77 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `OpenAI Gym`_ | Not Testing | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `matminer`_ | 1.77 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `MDTraj`_ | 1.9.4 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `NetworkX`_ | 2.2 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `OpenMM`_ | 7.4.2 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `PDBFixer`_ | 1.6 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `Pillow`_ | 1.77 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `pyGPGO`_ | 7.1.2 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `Pymatgen`_ | 2020.7.3 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `PyTorch`_ | | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `RDKit`_ | 2020.03.3.0 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `Tensorflow Probability`_ | 0.10 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `XGBoost`_ | 1.1.1 | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ | `Weights & Biases`_ | Not Testing | | | | | | | | | | +--------------------------------+---------------+----------------------------------------+ .. _`joblib`: https://pypi.python.org/pypi/joblib .. _`NumPy`: https://numpy.org/ .. _`pandas`: http://pandas.pydata.org/ .. _`scikit-learn`: https://scikit-learn.org/stable/ .. _`SciPy`: https://www.scipy.org/ .. _`TensorFlow`: https://www.tensorflow.org/ .. _`BioPython`: https://biopython.org/wiki/Documentation .. _`OpenAI Gym`: https://gym.openai.com/ .. _`matminer`: https://hackingmaterials.lbl.gov/matminer/ .. _`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/ .. _`Pymatgen`: https://pymatgen.org/ .. _`PyTorch`: https://pytorch.org/ .. _`RDKit`: http://www.rdkit.org/ocs/Install.html .. _`simdna`: https://github.com/kundajelab/simdna .. _`Tensorflow Probability`: https://www.tensorflow.org/probability .. _`XGBoost`: https://xgboost.readthedocs.io/en/latest/ .. _`Weights & Biases`: https://docs.wandb.com/
