fomightez / structureworkLinks
programs and scripts for molecular structure analysis
☆11Updated 6 months ago
Alternatives and similar repositories for structurework
Users that are interested in structurework are comparing it to the libraries listed below
Sorting:
- Ligand binding site prediction and virtual screening☆12Updated 6 years ago
- A tool for 2D protein visualization aimed at improving the comparability of protein structures through standardized 2D visualizations.☆18Updated last month
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Updated last year
- Cloud-based molecular docking for everyone☆11Updated last year
- ☆30Updated 4 months ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- A Unified Approach to Protein Engineering☆42Updated last year
- Bioinformatics and Cheminformatics protocols for peptide analysis☆43Updated 2 years ago
- Python package to manage protein structures and their annotations☆44Updated last year
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Updated 2 months ago
- ☆17Updated 2 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 3 months ago
- Automated construction of protein chimeras and their analysis.☆15Updated last year
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 7 months ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆30Updated last year
- DE-STRESS is a model evaluation pipeline that aims to make protein design more reliable and accessible.☆27Updated 6 months ago
- Python code to automatically interact with PDBePISA web server☆11Updated 3 years ago
- Code for ApoDock☆20Updated 5 months ago
- A high performance drop-in replacement for Biotite's PDBFile.☆39Updated 3 months ago
- Interactive Python notebooks for PDBe API training☆56Updated 2 months ago
- Some scripts that I keep using over and over.☆20Updated 2 months ago
- The official codebase of peptidy, a peptide processing tool for machine learning.☆33Updated 4 months ago
- Explicit crosslinks in AlphaFold 3☆22Updated 5 months ago
- Personal Notes☆23Updated 2 months ago
- Autodock/Vina plugin for PyMol by Daniel Seeliger☆27Updated 7 years ago
- ☆26Updated 3 years ago
- Plugin for folding sequences directly in PyMOL☆27Updated last month
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 11 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year