Fusion of protein sequence and structural information, using denoising pre-training network for protein engineering (zero-shot).
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Updated
May 11, 2024 - Python
Fusion of protein sequence and structural information, using denoising pre-training network for protein engineering (zero-shot).
macromolecular crystallography library and utilities
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
Structure-aware adapter fine-tuning PLMs, with high training speed and impressive performance.
The Integrative Modeling Platform
mdciao: Analysis of Molecular Dynamics Simulations Using Residue Neighborhoods
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
A NumPy port of the foldseek code for encoding protein structures to 3di.
Extraction of correlations from multistate PDB protein coordinates
The Rosetta Bio-macromolecule modeling package.
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
Official git repository for Biopython (originally converted from CVS)
Foldseek enables fast and sensitive comparisons of large structure sets.
Modeling molecular ensembles with scalable data structures and parallel computing
Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.
Calculation of interatomic interactions in molecular structures
Base Scipion plugin defining objects and protocols for CHEMoinformatics
Struktura proteinov [UL FKKT]
Library of PyMOL Python snippets for Google Colab.
Implementation of PocketGen: Generating Full-Atom Ligand-Binding Protein Pockets
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