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* Use modern type annotations for utils.py

* update (#377)

* Remove python2 support from CI, _six, etc. (#370)

* Remove python2 step 1

* badge

* Delete _six.py

* Simplify triple_by_molecule (#368)

* Simplify triple_by_molecule

* fix

* fix

* fix

* Use @ syntax (#371)

* Use modern type annotations for nn.py (#373)

* Use modern type annotations for nn.py

* flake8

* Use modern type annotations for models.py (#374)

* Use modern type annotations for aev.py

* commit

* Use modern type annotations for nn.py

* flake8

* Simplify triple_by_molecule

* fix

* fix

* fix

* Remove python2 step 1

* badge

* Delete _six.py

* Simplify code using torch.triu_indices

* Update aev.py

* Change homepage url

I forgot to change that when I move it from zasdfgbm/torchani to aiqm/torchani...

* Update setup.py

* Remove AEV cacher

* more

* more

* more

* flake8

* further cleanup

* Don't hard code ensemble size

* flake8

* fix

* Run tests on merge master, and everyday 0:00

* test

* try

* use array

* test

* test

* test

* fix all

* push only on master

* Remove ignite

* remove neurochem-test

* remove cache-aev

* fix cuda support

* Update aev.py

* Update utils.py

* Update utils.py

* Update utils.py

* Update utils.py

* remove float32 dtypes from comp6.py

add @IgnacioJPickering as a code owner for /torchani/data

* fix device type

* Update utils.py

* Update utils.py

fix typo!

add @yueyericardo as a code owner for /torchani/data

* deploy to aiqm/torchani-test-docs for testing

* Deploy to test PyPI on PR

* update

* fix tag version

* fix docs deploy format

* test

* fix

* deploy docs on release

* update

* deploy pypi

* update readme

* Add unit test for builtin models

* flake8

* add test for scripted ensemble

* use torchani.nn.Sequential

* change OrderedDict to module list

* fix

* fix nn.py

* try more fix

* try

* more

* more

* fix more

* rename

* bring ensemble back

* make ANIModel iterable

* Keep in-progress jobs once a test fails in Actions

By default, GitHub cancels all in-progress jobs if any `matrix` jobs fail in Actions. This PR will change the default to let all tests running in case one of them fails.

* Update unittest.yml

* Update unittest.yml

* Move unittest check to GitHub Actions

Tests are parallelized

* Delete tests.yml

* Update setup.py

* Create test_requirements.txt

* Update unittest.yml

* Update unittest.yml

* Update README.md

* Delete install_dependencies.sh

* Delete install_dependencies_python2.sh

* Update unittest.yml

* split

* split

* fix

* fix

* -v

* more

* more

* fix

* fix

* flake8

* transform

* reduce testBenzeneMD

* version

* reduce number of epoches

* further reduce time

* Update docs.yml

* Add GitHub Actions badges

This PR is to fix #320

* Update README.md

* Update README.md