The Technical Steering Committee admits and oversees all top-level of DeepChem.
The TSC exercises autonomy in setting up and maintaining procedures, policies, and management and administrative structures as it deems appropriate for the maintenance and operation of these projects and resources.
Included in the responsibilities of the TSC are:
* Managing code and documentation creation and changes for the listed projects and resources
* Performing code reviews on incoming pull requests and merging suitable code changes.
* Setting and maintaining standards covering contributions of code, documentation and other materials
* Making decisions regarding dependencies of DeepChem, including what those dependencies are and how they are bundled with source code and releases
* Creating new repositories and projects under the deepchem GitHub organization as required
* Setting overall technical direction for the DeepChem project, including high-level goals and low-level specifics regarding features and functionality
* Setting and maintaining appropriate standards for community discourse via the various mediums under TSC control (gitter, facebook, blog)
Members of the TSC will meet regularly (over phone or video conferencing) to coordinate efforts. Minutes from the TSC meetings will be published publicly on an ongoing basis.
The current members of the TSC are (alphabetically)
* Peter Eastman
* Karl Leswing
* Bharath Ramsundar
* Zhenqin Wu
If you want to join the technical steering committee, you will need to submit an application. The application process is relatively lightweight: submit a one page document discussing your past contributions to DeepChem and propose potential projects you could commit to working on as a member of the steering committee. Note that steering committee membership comes with responsibilities. In particular, you will need to commit to spending about 10 hours a week working on DeepChem. The committee will review your application, and if suitable, will accept you as a probationary member of the TSC. Your application will be posted publicly to the DeepChem blog if accepted. Membership on the committee will be confirmed after 6 months if you’ve successfully implemented some of your proposed projects and demonstrated your ability to meet the necessary time commitment.
## Contributing to DeepChem
# Contributing to DeepChem
We actively encourage community contributions to DeepChem. The first place to start getting involved is by running our examples locally. Afterwards, we encourage contributors to give a shot to improving our documentation. While we take effort to provide good docs, there's plenty of room for improvement. All docs are hosted on Github, either in `README.md` file, or in the `docs/` directory.
@@ -51,11 +24,7 @@ yapf -i <python_files changed>
Our integration tests will fail if code is not formatted correctly
## Documentation Style Guidelines
DeepChem uses [NumPy style documentation](https://github.com/numpy/numpy/blob/master/doc/HOWTO_DOCUMENT.rst.txt). Please follow these conventions when documenting code, since we use [Sphinx+Napoleon](http://www.sphinx-doc.org/en/stable/ext/napoleon.html) to automatically generate docs on [deepchem.io](deepchem.io).
## Contributor License Agreement
In order to get a pull request accepted you must fill out our [License Agreement](https://www.clahub.com/agreements/deepchem/deepchem). The purpose of this agreement is to enable DeepChem to distribute your code and its derivatives.
DeepChem uses [NumPy style documentation](https://github.com/numpy/numpy/blob/master/doc/HOWTO_DOCUMENT.rst.txt). Please follow these conventions when documenting code, since we use [Sphinx+Napoleon](http://www.sphinx-doc.org/en/stable/ext/napoleon.html) to automatically generate [docs](https://deepchem.readthedocs.io/en/latest).
## The Agreement
Contributor offers to license certain software (a “Contribution” or multiple “Contributions”) to DeepChem, and DeepChem agrees to accept said Contributions, under the terms of the open source license [The MIT License](https://opensource.org/licenses/MIT)
@@ -65,3 +34,27 @@ The Contributor understands and agrees that DeepChem shall have the irrevocable
DeepChem understands and agrees that Contributor retains copyright in its Contributions. Nothing in this Contributor Agreement shall be interpreted to prohibit Contributor from licensing its Contributions under different terms from the [The MIT License](https://opensource.org/licenses/MIT) or this Contributor Agreement.
## DeepChem Technical Steering Committee
The Technical Steering Committee admits and oversees all top-level of DeepChem.
The TSC exercises autonomy in setting up and maintaining procedures, policies, and management and administrative structures as it deems appropriate for the maintenance and operation of these projects and resources.
Included in the responsibilities of the TSC are:
* Managing code and documentation creation and changes for the listed projects and resources
* Performing code reviews on incoming pull requests and merging suitable code changes.
* Setting and maintaining standards covering contributions of code, documentation and other materials
* Making decisions regarding dependencies of DeepChem, including what those dependencies are and how they are bundled with source code and releases
* Creating new repositories and projects under the deepchem GitHub organization as required
* Setting overall technical direction for the DeepChem project, including high-level goals and low-level specifics regarding features and functionality
* Setting and maintaining appropriate standards for community discourse via the various mediums under TSC control (gitter, facebook, blog)
Members of the TSC will meet regularly (over phone or video conferencing) to coordinate efforts. Minutes from the TSC meetings will be published publicly on an ongoing basis.
The current members of the TSC are (alphabetically)
* Peter Eastman
* Karl Leswing
* Bharath Ramsundar
* Zhenqin Wu
If you want to join the technical steering committee, you will need to submit an application. The application process is relatively lightweight: submit a one page document discussing your past contributions to DeepChem and propose potential projects you could commit to working on as a member of the steering committee. Note that steering committee membership comes with responsibilities. In particular, you will need to commit to spending about 10 hours a week working on DeepChem. The committee will review your application, and if suitable, will accept you as a probationary member of the TSC. Your application will be posted publicly to the DeepChem blog if accepted. Membership on the committee will be confirmed after 6 months if you’ve successfully implemented some of your proposed projects and demonstrated your ability to meet the necessary time commitment.
Before activating deepchem environment, make sure conda has been initialized.
Check if there is a `(base)` in your command line. If not, use `conda init bash` to activate it, then:
```
conda activate deepchem
python setup.py install
pytest -m "not slow"
```
Check [this link](https://conda.io/projects/conda/en/latest/user-guide/install/index.html) for more information about the installation of conda environments.
### Use powershell (Windows)
Currently you have to install from source in windows.
If you are using the Windows and the PowerShell:
```ps1
.\scripts\install_deepchem_conda.ps1 deepchem
```
Before activating deepchem environment, make sure conda-powershell has been initialized.
Check if there is a `(base)`before `PS` in powershell. If not, use `conda init powershell` to activate it, then:
Before activating deepchem environment, make sure conda has been initialized.
Check if there is a `(base)`in your command line. If not, use `conda init <YOUR_SHELL_NAME>` to activate it, then:
```bash
conda activate deepchem
python setup.py install
pytest -m"not slow"
pytest -m"not slow" deepchem # optional
```
### Install using a Docker (WIP)
### Build the image from Dockerfile
Check [this link](https://conda.io/projects/conda/en/latest/user-guide/install/index.html) for more information about the installation of conda environments.
We created [sample Dockerfiles](https://github.com/deepchem/deepchem/tree/master/docker) based on the `nvidia/cuda:10.1-cudnn7-devel` image.
If you want to build your own deepchem environment, these files may be helpful.
-`docker/x.x.x` : build an image by using conda package manager (x.x.x is a version of deepchem)
-`docker/master` : build an image from master branch of deepchem source codes
### Install using a Docker
### Use the official deepchem image (WIP)
If you want to install using a docker, you can pull two kinds of images.
The DeepChem project maintains an extensive colelction of [tutorials](https://github.com/deepchem/deepchem/tree/master/examples/tutorials). All tutorials are designed to be run on Google colab (or locally if you prefer). Tutorials are arranged in a suggested learning sequence which will take you from beginner to proficient at molecular machine learning and computational biology more broadly.
The DeepChem project maintains an extensive collection of [tutorials](https://github.com/deepchem/deepchem/tree/master/examples/tutorials). All tutorials are designed to be run on Google colab (or locally if you prefer). Tutorials are arranged in a suggested learning sequence which will take you from beginner to proficient at molecular machine learning and computational biology more broadly.
After working through the tutorials, you can also go through other [examples](https://github.com/deepchem/deepchem/tree/master/examples). To apply `deepchem` to a new problem, try starting from one of the existing examples or tutorials and modifying it step by step to work with your new use-case. If you have questions or comments you can raise them on our [gitter](https://gitter.im/deepchem/Lobby).
