Toolbox for molecular animations in Blender, powered by Geometry Nodes.
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Updated
Sep 30, 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
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.
Versatile computational pipeline for processing protein structure data for deep learning applications.
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.
Some miscellaneous scripts I made to do protein analysis using the pytraj library
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.
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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