GitLab

* 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

* Move python2 check to GitHub Actions

* Delete python2.yml

* Rename azure/install_dependencies_python2.sh to ci/install_dependencies_python2.sh

* Create runnable_submodules.yml

* Delete runnable_submodules.yml

* Update runnable_submodules.yml

* Move tools check to GitHub Actions

* Delete tools.yml

* Move docs to github actions

* Delete docs.yml

* Create install_dependencies.sh (#311)

* Rename install_dependencies.sh to ci/install_dependencies.sh

* +x

* Update and rename pythonpackage.yml to flake8.yml

* Delete flake8.yml

* Update flake8.yml

* Fix dependency in setup.py: `torch-nightly` has been renamed to `torch`

`torch-nightly` has been renamed to `torch`

* Update install_dependencies.sh

* Update install_dependencies_python2.sh

* Update deploy-docs.yml

* Update docs.yml

* Update tools.yml

* Update setup.py

* Update start.rst

* Update runnable_submodules.yml

* Update install_dependencies.sh

* Update install_dependencies_python2.sh

* Update start.rst

* Update README.md

* Update README.md

Add AdamW optimizer, Add docs of nnp training to train a real ANI-1x model, remove h5py and ignite from dependencies, rename MAEMetric -> MaxAEMetric, use torch.utils.tensorboard to replace tensorboardX (#224)

* fix lfs

* dependency on  pytorch-ignite-nightly

* added a yaml construct method for Trainer

* used safe_load

* reformatted the yaml structure to use the same _construct method

* added test for YAML config loader

* added pyyaml dep

Set timeout for CI builds, increase print freq for ase example