Pymol plugin allowing to draw inertia ellipsoid for a selection.
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May 19, 2016 - Python
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pymol
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This tool is particularly useful for studying water-mediated interactions in protein complexes and macromolecular structures.
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Nov 30, 2024 - Python
Final reports for structural bioinformatics classes with PyMOL
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Dec 15, 2019 - HTML
Unofficial binary wheels for the open-source version of PyMOL, (including an updated menu stylesheet and an alternative splash screen) tailored for Python on macOS.
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Mar 18, 2025 - C
In this module, you will harness novel machine learning techniques to investigate how proteins behave. A special focus will be given to data preprocessing, model training, and evaluation techniques to uncover complex biological relationships
machine-learning random-forest structural-biology gcp molecular-dynamics computational-biology pymol drug-discovery logistic-regression protein-protein-interaction molecular-visualization sars-cov-2 protein-interaction-network biophysical-simulations
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Jun 9, 2025 - Jupyter Notebook
ProtMind: Open-source AI & ML tools for structural bioinformatics, protein engineering, molecular modeling, and drug discovery.
python open-source machine-learning bioinformatics ai deep-learning protein-structure ml computational-biology molecular-simulation pymol drug-discovery structural-analysis structural-bioinformatics mutation-analysis protein-engineering molecular-modeling bioinformatics-tools team-projects protmind
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Oct 19, 2025
A script to generate a tripeptide database. At present, the amino acids of tripeptides produced are not complete
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May 18, 2021 - Python
Simple script to color code amino acids according to ConSurf analysis
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Mar 3, 2017 - Python
Unofficial binary wheels for the open-source version of PyMOL, (including an updated menu stylesheet and an alternative splash screen) tailored for Python on GNU Linux.
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Mar 11, 2025 - Python
The align_and_color_with_selection.py script is a PyMOL plugin designed to streamline the comparison of two structural models. It performs structural alignment, highlights differing residues, and creates selections for these residues, making it a valuable tool for structural biologists analyzing homologous structures or variants.
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Nov 27, 2024 - Python
End-to-end virtual screening workflow for SARS-CoV-2 Mpro (6LU7) using AutoDock Vina, Python automation, and PyMOL visualization.
bioinformatics computational-chemistry pymol drug-discovery virtual-screening python-project molecular-docking autodock-vina sars-cov-2 6lu7
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Nov 26, 2025 - Jupyter Notebook
PyMOL wizard integrating brianhie/efficient-evolution and haddocking/prodigy for guided antibody evolution.
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Jun 23, 2025 - Python
PyMOL wizard integrating oxpig/ANARCI and alchemab/parapred-pytorch for paratope prediction.
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Jun 19, 2025 - Python
This repository contains the Assurance of Learning (AoL) Project by Jonathan et al. for the Computational Biology course (SCIE6062001). The project received a high distinction with a score of 100 (Grade: A).
computational-biology project pymol openbabel pubchem ncbi autodocktools autodock-vina swiss-model assurance-of-learning
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Jun 26, 2024
MutFold | Human breast cancer associated mutant protein structure prediction and alignment application
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Dec 12, 2023 - Jupyter Notebook
Bioinformatics Course - Protein Module Practice
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Sep 23, 2024 - Parrot
The CAVER PyMOL for modern PyMOL(^v2.5, ^v3.02; PyQt) using Caver 3.02 software.
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Dec 25, 2025 - Python
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