MongoChem is an open-source, cross-platform framework for managing large collections of chemical data. It uses MongoDB to store and retrieve data, and can be used in groups to share and search across work being done in a group. Some highlights:
MongoChem is being developed as part of the Open Chemistry project at Kitware, along with companion tools and libraries to support the work.
- [Ansible] (http://www.ansible.com/)
Install the required packages, and then run:
ansible-galaxy install -p ansible/roles/ -r ansible/requirements.yml
ansible-playbook -i ansible/inventory/production ansible/site.yml \
-e keys_directory=<path_to_keys>
Note that this is an example playbook that will require adaptation for your particular deployment.
Our project uses the standard GitHub pull request process for code review and integration. Please check our development guide for more details on developing and contributing to the project. The GitHub issue tracker can be used to report bugs, make feature requests, etc.
Our wiki is used to document features, flesh out designs and host other documentation. We have several mailing lists to coordinate development and to provide support.
This project is released under the 3-clause BSD license, see the LICENSE file for more details.