Search Results for "data science"

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...

GEOMS2 is a geostatistics and geosciences modeling software. Provides interface for grid (mesh), point, surface and data (non-spatial) objects. It has a 3D viewer and 2D plots using the well known Python engines Mayavi and Matplotlib. It has several functions to manipulate your data as well as provide univariate and multivariate analysis. NOTE: The software is still an early beta. Please tell us if you found a bug. Download datasets for students of Geostatistics 2017 (Petroleum...