pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an up-to-date API documention please check our website:
-
Updated
Jun 17, 2024 - Python
pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an up-to-date API documention please check our website:
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
MoleculeKit: Your favorite molecule manipulation kit
Multimodal Pretraining for Unsupervised Protein Representation Learning
Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations
A Python package for extracting and simulating diffuse scattering of X-rays in protein crystals
Official repo of the modular BioExcel version of HADDOCK
A Python package to manage protein design workflows on computing clusters and local machines. Documentation can be found here: https://protflow.readthedocs.io/en/latest/
A Python package to calculate, visualize and analyze correlation maps of proteins.
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
FAS - Tool for Feature Architecture Similarity calculation
Contextualizing protein representations using deep learning on protein networks and single-cell data
KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
A Python API for the RCSB Protein Data Bank (PDB)
Open source biolab
protein structure prediction with precision
A Python package to interactively compute, analyze and visualize protein allosteric communication (residue interaction) networks and delta-networks.
Fast regex-based protein digestion and unique peptides finder tool
Add a description, image, and links to the proteins topic page so that developers can more easily learn about it.
To associate your repository with the proteins topic, visit your repo's landing page and select "manage topics."