Search Results for "radius windows"

BioXTAS RAW is a program for analysis of Small-Angle X-ray Scattering (SAXS) data. The software enables: creation of 1D scattering profiles from 2D detector images, standard data operations such as averaging and subtraction, analysis of radius of gyration (Rg) and molecular weight, and advanced analysis using GNOM and DAMMIF as well as electron density reconstructions using DENSS. It also allows easy processing of inline SEC-SAXS data and data deconvolution using the evolving factor analysis...

Torch Points 3D is a framework for developing and testing common deep learning models to solve tasks related to unstructured 3D spatial data i.e. Point Clouds. The framework currently integrates some of the best-published architectures and it integrates the most common public datasets for ease of reproducibility. It heavily relies on Pytorch Geometric and Facebook Hydra library thanks for the great work! We aim to build a tool that can be used for benchmarking SOTA models, while also...

NanoCap is a generic application for the construction of low energy fullerene and capped nanotube structures. It provides an ideal tool to accompany the study of finite carbon molecules using computer simulation. The implementation involves a standalone application which includes a GUI and allows for dynamic visual inspection through 3D rendering. In addition, the NanoCap core libraries can be used in custom Python scripts that enabled the user to produce structures in bulk or to include the...