@datagrok/hit-triage v1.3.3

HitTriage

The HitTriage package is a powerful tool designed for molecule analysis and campaign management within the Datagrok environment. It consists of two applications: HitTriage and HitDesign.

• The HitTriage application is designed for molecule analysis and filtering. It allows users to upload a dataset, filter it, calculate molecular properties, submit the results to any chosen function or query and share campaigns between users. More about HitTriage can be found here.

• The HitDesign application is similar in terms of campaign management, but instead of uploading a dataset, users can sketch molecules, calculate molecular properties, filter and organize them in stages. More about HitDesign can be found here.