prody / ProDyLinks
A Python Package for Protein Dynamics Analysis
☆506Updated 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☆594Updated last month
- A Python API for the RCSB Protein Data Bank (PDB)☆331Updated 4 months ago
- Cloud-based molecular simulations for everyone☆452Updated 3 weeks ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆321Updated last year
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆360Updated last month
- HTMD: Programming Environment for Molecular Discovery☆268Updated 4 months ago
- Interaction Fingerprints for protein-ligand complexes and more☆446Updated 2 months ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆396Updated last year
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆599Updated this week
- Collected scripts for Pymol☆496Updated 2 months ago
- A dependency-free cross-platform swiss army knife for PDB files.☆432Updated 3 weeks ago
- Open Drug Discovery Toolkit☆449Updated 2 years ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆273Updated last year
- macromolecular crystallography library and utilities☆296Updated 3 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.☆278Updated 3 months ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆328Updated 2 weeks ago
- A deep learning framework for molecular docking☆784Updated 2 months ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆355Updated 3 weeks ago
- Application to assign secondary structure to proteins☆222Updated last month
- An open library for the analysis of molecular dynamics trajectories☆670Updated last week
- MoleculeKit: Your favorite molecule manipulation kit☆226Updated last week
- Official Python client for accessing ChEMBL API☆423Updated 9 months ago
- AutoDock for GPUs and other accelerators☆524Updated last month
- Tutorials to learn how to work with the RDKit☆300Updated 2 years ago
- Python interface of cpptraj☆184Updated 9 months ago
- Evolutionary couplings from protein and RNA sequence alignments☆284Updated this week
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆693Updated last year
- A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files☆180Updated 6 years ago
- Molecular Processing Made Easy.☆514Updated last year
- The Rosetta Bio-macromolecule modeling package.☆334Updated this week