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Virtual Screening software for Computational Drug Discovery
PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with easy-to-use user interface which makes...
Helps compatibility with Vernier's Graphical Analysis and Logger Pro software. Includes a converter to extract important data out of Vernier .ga3 and .cmbl data files, and spreadsheet to analyze the data with tables, graphs, and curve fitting.
TaDaPro is a command-line utility to operate with numerical column tabulated data.
It is intended for operations that are cumbersome to do by hand in a spreadsheet, and for transformations that have to be applied as a batch process on many files.