Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
☆152Jun 28, 2026Updated 4 months ago
Alternatives and similar repositories for getcontacts
Users that are interested in getcontacts are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Visualization tool for changing networks☆20May 11, 2018Updated 8 years ago
- Analysis of non-covalent interactions in MD trajectories☆72Jan 3, 2025Updated last year
- A software research tool for the analysis of structural communication in protein ensembles☆15Mar 24, 2022Updated 4 years ago
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆152Feb 12, 2025Updated last year
- PDBFixer fixes problems in PDB files☆681Mar 10, 2026Updated 7 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- MD trajectory analysis using protein-ligand Interaction Fingerprints☆78Sep 7, 2026Updated last month
- Interaction Fingerprints for protein-ligand complexes and more☆554Updated this week
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆68Updated this week
- PyRod - Tracing water molecules in molecular dynamics simulations☆59Oct 31, 2025Updated last year
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆728Jul 3, 2026Updated 3 months ago
- Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane☆44Apr 27, 2026Updated 6 months ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆31Dec 30, 2022Updated 3 years ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆31Sep 17, 2025Updated last year
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆399Jul 31, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆43Jun 19, 2026Updated 4 months ago
- Distribution package for BaNDyT: Bayesian Network Analysis of Dynamic Trajectories☆11Mar 30, 2026Updated 7 months ago
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆19Mar 31, 2021Updated 5 years ago
- Software for analyzing multiple protein-protein interaction docking solutions, calculating contact regions using mdtraj, and visualizing …☆12Jun 16, 2017Updated 9 years ago
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Mar 6, 2026Updated 7 months ago
- Predict the binding affinity of protein-protein complexes from structural data☆203Oct 3, 2025Updated last year
- Structure prediction of alternative protein conformations☆86Feb 24, 2025Updated last year
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated 6 months ago
- Calculation of interatomic interactions in molecular structures☆145Sep 3, 2024Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Collected scripts for Pymol☆537Mar 1, 2026Updated 8 months ago
- A Python Package for Protein Dynamics Analysis☆560Oct 4, 2026Updated 3 weeks ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆785Jun 19, 2024Updated 2 years ago
- QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network☆19Jan 18, 2019Updated 7 years ago
- A dependency-free cross-platform swiss army knife for PDB files.☆461Jun 10, 2026Updated 4 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆33Jul 28, 2026Updated 3 months ago
- Code for the paper "Learning to engineer protein flexibility".☆23Mar 24, 2026Updated 7 months ago
- HTMD: Programming Environment for Molecular Discovery☆278Oct 23, 2026Updated last week
- An Interface-Predicting Language Model for Designing Peptide-Guided Protein Degraders☆18Sep 10, 2024Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Scores for Hydrophobicity and Charges based on SASAs☆47Jun 12, 2025Updated last year
- ☆17Jan 13, 2026Updated 9 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆44May 15, 2024Updated 2 years ago
- ☆15Jun 26, 2018Updated 8 years ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆194Oct 7, 2025Updated last year
- ☆52Jun 15, 2026Updated 4 months ago
- Membrane protein builder and parameterizer☆19Sep 1, 2024Updated 2 years ago