Python Modeling Interface
-
Updated
Jun 5, 2024 - Python
Python Modeling Interface
mdciao: Analysis of Molecular Dynamics Simulations Using Residue Neighborhoods
Helical indexing using the cylindrical projection of a 3D density map
A comprehensive library for computational molecular biology
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
Helical Indexing using Layer Lines
Extraction of correlations from multistate PDB protein coordinates
An open-source deep learning framework for data mining of protein-protein interfaces or single-residue variants.
An ML method to infer post-translational modifications in AD tau. This project is under development and currently only supports phosophylation predictions.
Reveal protein energy centers.
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
The LoCoHD metric for protein-protein structure comparison
Client library for interacting with ARIA APIs for data deposition.
Datasets and analysis tools for RNA 3D and 2.5D structures.
In this research project a standardised AlphaFold 2-based molecular replacement strategy is developed and implemented in an existing biomolecule structure solution pipeline at MAX IV Laboratory. It can be run on high performance clusters similar to the LUNARC (https://www.lunarc.lu.se/). A standalone and implemented version of the pipeline exists.
Contacts-based classifier of biological and crystallographic interfaces
Protein-Protein Docking using Genetic Algorithm
RiboNucleic Acid (RNA) Language Model
A dependency-free cross-platform swiss army knife for PDB files.
MicroED data processing scripts and tutorials
Add a description, image, and links to the structural-biology topic page so that developers can more easily learn about it.
To associate your repository with the structural-biology topic, visit your repo's landing page and select "manage topics."