Accessing

The ACSC Molecular Simulation Data Repository stores simulation data generated by researchers across Australia. This page explains how the data can be accessed.

##Logging In

Accounts on the ACSC Molecular Simulation Data Repository are managed through the [Australian Access Federation (AAF)](https://aaf.edu.au/) after logging in using AAF credentials, an ACSC Molecular Simulation Data Repository account will automatically be created for you, which you can then access on subsequent visits by once again logging in using AAF credentials.

##Exploring the Repository

Datasets can be searched through the “Dataset” top level navigation menu, or through the search bar. The “Dataset” page allows for more powerful search options such as filtering by organizations (educational institutions, research groups, etc.), groups (themes of related datasets), tags (descriptions of the system and software used), formats (file types), and finally the licence associated with each dataset.

###Organizations

Organizations provide a way for research groups to manage their data on the repository and for users to easily search for datasets originating from a specific group of researchers. A list of organizations can be found by clicking the “Organizations” button in the top level navigation menu. Some datasets may be marked as private and only visible to members of the dataset’s organization. Private datasets are not shown in general dataset searches but are shown in dataset searches within the organization. To request access to a private dataset, please contact an admin of the corresponding organization.

###Groups

Groups on the ACSC Molecular Simulation Data Repository are collections of related datasets, not necessarily originating from the same organization. Searching datasets by group allows researchers working on similar tasks (e.g., force field validation) to easily view datasets related to the topic from all contributing organizations. Groups contain both members and datasets. To request membership in a group, contact one of the group admins.

###Tags

Tags are descriptors of the data contained in the datasets. Some of these are provided by the uploader, while others are automatically generated through analysis of the files within the dataset. These tags allow for filtering of the repository using a wide range of facets.

###Formats

The repository can also be filtered based on which file formats are present in a given dataset. For example, if you are searching only for AMBER runs with trajectory files, you may want to filter using the “.nc” format.

###Licence

Unless noted otherwise, data on this site is distributed under the similar to https://creativecommons.org/licenses/by-nc/4.0/ licence. Individual datasets may have their own, more restrictive licences. The licence for each dataset is displayed in the corresponding dataset view.

##Interested in Contributing Data?

If you are interested in contributing data to the repository, please see our “Depositing” page.