2024-03-28 Release Note

The update for Hyper Lab on March 28, 2024, has been completed.

Hyper Lab Version : 2024.03.28

Changelogs

1. Upgrade to Hyper Binding

Hyper Binding's performance has improved by a large margin after the incorporation of:

Exhaustive Search, our brand-new development of a binding-pose search method, and
PIGNet2, our recently published AI for predicting protein-ligand interactions [Digital Discovery 3: 287 (2024)].

Among the above, Exhaustive Search searches the possible binding poses of ligands as exhaustively and fast as possible. Exhaustive Search significantly increases both Hyper Binding's accuracy and speed.

[Upgrade to performance]

The chart below shows Hyper Binding's success rate in finding correct ligand poses. We used the PoseBusters benchmark [Chem. Sci. 15: 3130 (2024)], which consists of 428 protein-ligand complexes. The result shows a large increase in the performance of Hyper Binding by this upgrade.

Also, Hyper Binding became significantly faster with the upgrade.

2. Addition of Roles and Permissions within the Project

To facilitate smooth management of projects by various members, roles specific to each project have been introduced.

The roles within a project are designated as 'Project Leader', 'Project Manager', and 'Project Member', with the following permissions assigned according to each role:

Roles within the project can be assigned and modified on the following page:

[Create New Project]: When creating a new project, you can invite LabSpace members and assign roles within the project.
[Project Settings] - [Project Member]: You can invite LabSpace members who are not yet part of the project, change the roles of existing project members, or remove them from the project.

3. New Addition of Project Bench

A new feature, 'Project bench,' has been added as a space where members within a project can conduct and manage research together.

The Project Bench is accessible to all members within a project, allowing everyone to immediately see the results of research conducted directly on the Project bench.

The Project bench’s functions identically to My bench. However, some features may be restricted on the Project bench depending on the roles assigned within the project (refer to the image in section 2 about 'Permissions by project role').

*Note: Data between My bench and Project bench is not shared.

4. Addition of Molecule Duplicate Feature Between My bench and Project bench

A new feature has been added that allows for the duplicate and transfer of molecules researched on My bench and Project bench between each bench.

When selecting molecules, by choosing the [Duplicate] feature from the floating menu that appears, you can select the bench to which you wish to clone the selected molecules. Once you've completed selecting the bench, the molecules will be cloned and added to the chosen bench.

When molecules are cloned, only the data of the molecule, excluding user field data, is duplicated.

The method of navigating within the hierarchy on the Hyper Design page, which was previously limited to scrolling, has been improved to allow for free movement via mouse dragging as well.

You can freely move within the hierarchy by dragging the mouse over empty areas within the hierarchy.