Adding docs and trying to fix doctest

    - name: Build DeepChem

      run: |

        python -m pip install --upgrade pip

        pip install tensorflow'>=2.3,<2.4'

        pip install -e .

    - name: Import checking

      run: python -c "import deepchem"

      if: ${{ (success() || failure()) && (steps.install.outcome == 'failure' || steps.install.outcome == 'success') }}

      shell: bash -l {0}

      run: DGLBACKEND=pytorch pytest -v --ignore-glob='deepchem/**/test*.py' --doctest-modules deepchem

    - name: PyTest

      if: ${{ (success() || failure()) && (steps.install.outcome == 'failure' || steps.install.outcome == 'success') }}

      shell: bash -l {0}

      run: pytest -v -m "not slow and not jax and not torch and not tensorflow" --cov=deepchem --cov-report=xml deepchem

      # These tests are handled by new CI runs

      #- name: PyTest

      #  if: ${{ (success() || failure()) && (steps.install.outcome == 'failure' || steps.install.outcome == 'success') }}

      #  shell: bash -l {0}

      #  run: pytest -v -m "not slow and not jax and not torch and not tensorflow" --cov=deepchem --cov-report=xml deepchem

    - name: Upload coverage to Codecov

      if: ${{ (success() || failure()) && (steps.install.outcome == 'failure' || steps.install.outcome == 'success') }}

      uses: codecov/codecov-action@v1

Layers

======

Deep learning models are often said to be made up of "layers".

Intuitively, a "layer" is a function which transforms some tensor into

another tensor. DeepChem maintains an extensive collection of layers which perform various useful scientific transformations. For now, most layers are Keras only but over time we expect this support to expand to other types of models and layers.

Intuitively, a "layer" is a function which transforms some

tensor into another tensor. DeepChem maintains an extensive

collection of layers which perform various useful scientific

transformations. For now, most layers are Keras only but over

time we expect this support to expand to other types of models

and layers.

Keras Layers

------------

.. autoclass:: deepchem.models.layers.InteratomicL2Distances

  :members:

.. autoclass:: deepchem.models.layers.SetGather

  :members:

Torch Layers

------------

.. autoclass:: deepchem.models.torch_models.layers.ScaleNorm

  :members:

  :members:

.. autofunction:: deepchem.models.layers.cosine_dist

Jax Layers

----------

.. autoclass:: deepchem.models.jax_models.layers.Linear

  :members:

    - tensorflow~=2.4

    - tensorflow_probability==0.12.*

    - tensorflow_addons==0.12.*

    - jax

    - jax==0.2.14

    - jaxlib==0.1.67

    - dm-haiku==0.0.4

    - optax==0.0.8

    - torch-geometric==1.7.0

    - transformers==4.6.*

    - xgboost==1.*