macromolecular crystallography library and utilities
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Updated
Jun 6, 2024 - C++
macromolecular crystallography library and utilities
Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic balls.
The Integrative Modeling Platform
protein conformational spaces meet machine learning
SaprotHub: Making Protein Modeling Accessible to All Biologists
Official git repository for Biopython (originally converted from CVS)
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
DiffModeler: a diffusion model based protein complex structure modeling tool.
The Rosetta Bio-macromolecule modeling package.
Python Modeling Interface
Pipeline for searching and aligning contact maps for proteins, then running DeepFri's GCN.
mdciao: Analysis of Molecular Dynamics Simulations Using Residue Neighborhoods
Base Scipion plugin defining objects and protocols for CHEMoinformatics
The library to support reading and writing of RMF files.
A nano protein structure prediction model based on DeepMind's AlphaFold paper
C++ package that provides tools for correcting structural predictions of proteins (eg. from X-Ray Crystallography or AlphaFold) using X-ray small-angle scattering (SAXS) in solution
Molecular simulation in Julia
Protein Graph Library
Fusion of protein sequence and structural information, using denoising pre-training network for protein engineering (zero-shot).
A Julia package to read, write and manipulate macromolecular structures
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