Toolbox for molecular animations in Blender, powered by Geometry Nodes.
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Updated
Jul 16, 2024 - Python
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
A Python API for the RCSB Protein Data Bank (PDB)
Deep functional residue identification
Versatile computational pipeline for processing protein structure data for deep learning applications.
A collection of useful tutorials for Protein Science
Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.
A script that computationally designs a vaccine
Program to plot a Ramachandran plot of all dihedral angles from a given PDB file. Background is empirically generated from the peptides in the Top8000 PDB data set.
BPL is an Python app to solve Loop Closure Problems.
CA-2-HCOMB is a tool for simplifying single-chain protein structures from PDB files into manageable models like various honeycombs, retaining essential information for in-depth computations. It's efficient for large datasets and machine learning, and user-friendly for research and education.
Object-oriented processing of PDB files in Python
Lattice2Backbone is a software tool that converts lattice representations of protein structures into detailed, carbon alpha-only backbone structures, bridging the gap between simplified models and comprehensive biological analysis in structural biology and bioinformatics.
Some miscellaneous scripts I made to do protein analysis using the pytraj library
A Python Framework for Integrating Classical and Quantum Mechanical Simulation Data, Experimental Data, and Cheminformatics into a Unified Predictive Engine for Macromolecular Design
local PDB manager
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