prody / ProDyLinks
A Python Package for Protein Dynamics Analysis
☆489Updated this week
Alternatives and similar repositories for ProDy
Users that are interested in ProDy are comparing it to the libraries listed below
Sorting:
- PDBFixer fixes problems in PDB files☆563Updated 4 months ago
- A Python API for the RCSB Protein Data Bank (PDB)☆328Updated 2 months ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆346Updated last month
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆314Updated last year
- HTMD: Programming Environment for Molecular Discovery☆268Updated last month
- Cloud-based molecular simulations for everyone☆440Updated 3 weeks ago
- Interaction Fingerprints for protein-ligand complexes and more☆434Updated 2 weeks ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆367Updated 10 months ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆564Updated last month
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆269Updated last year
- A dependency-free cross-platform swiss army knife for PDB files.☆423Updated 2 weeks ago
- A deep learning framework for molecular docking☆746Updated 3 weeks ago
- Collected scripts for Pymol☆488Updated 3 weeks ago
- An open library for the analysis of molecular dynamics trajectories☆660Updated this week
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆332Updated last month
- Application to assign secondary structure to proteins☆204Updated last month
- macromolecular crystallography library and utilities☆276Updated this week
- Open Drug Discovery Toolkit☆442Updated 2 years ago
- AutoDock for GPUs and other accelerators☆502Updated 6 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆350Updated this week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆314Updated this week
- Python interface of cpptraj☆181Updated 6 months ago
- MoleculeKit: Your favorite molecule manipulation kit☆226Updated 2 weeks ago
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆269Updated last month
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆309Updated 6 months ago
- A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files☆177Updated 5 years ago
- Evolutionary couplings from protein and RNA sequence alignments☆273Updated 5 months ago
- Official Python client for accessing ChEMBL API☆409Updated 6 months ago
- Interface for AutoDock, molecule parameterization☆262Updated this week
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆283Updated this week