Alternatives and similar repositories for ProDy

Users that are interested in ProDy are comparing it to the libraries listed below

• openmm / pdbfixer
  PDBFixer fixes problems in PDB files
  ☆608Updated last month
• williamgilpin / pypdb
  A Python API for the RCSB Protein Data Bank (PDB)
  ☆332Updated 6 months ago
• pablo-arantes / making-it-rain
  Cloud-based molecular simulations for everyone
  ☆460Updated last month
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆456Updated last week
• Acellera / htmd
  HTMD: Programming Environment for Molecular Discovery
  ☆268Updated 2 weeks ago
• Discngine / fpocket
  fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…
  ☆421Updated last year
• jensengroup / propka
  PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
  ☆326Updated last year
• lightdock / lightdock
  Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
  ☆367Updated 2 months ago
• haddocking / pdb-tools
  A dependency-free cross-platform swiss army knife for PDB files.
  ☆435Updated 2 months ago
• pharmai / plip
  Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…
  ☆617Updated last month
• AngelRuizMoreno / Jupyter_Dock
  Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…
  ☆273Updated 2 years ago
• oddt / oddt
  Open Drug Discovery Toolkit
  ☆457Updated 3 years ago
• openmm / openmmforcefields
  CHARMM and AMBER forcefields for OpenMM (with small molecule support)
  ☆335Updated 3 weeks ago
• rdk / p2rank
  P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
  ☆366Updated 2 months ago
• gnina / gnina
  A deep learning framework for molecular docking
  ☆809Updated last month
• mdtraj / mdtraj
  An open library for the analysis of molecular dynamics trajectories
  ☆677Updated this week
• Acellera / moleculekit
  MoleculeKit: Your favorite molecule manipulation kit
  ☆230Updated this week
• project-gemmi / gemmi
  macromolecular crystallography library and utilities
  ☆305Updated this week
• Valdes-Tresanco-MS / gmx_MMPBSA
  gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
  ☆287Updated this week
• chembl / chembl_webresource_client
  Official Python client for accessing ChEMBL API
  ☆427Updated 10 months ago
• PDB-REDO / dssp
  Application to assign secondary structure to proteins
  ☆229Updated 2 weeks ago
• datamol-io / datamol
  Molecular Processing Made Easy.
  ☆519Updated last year
• Pymol-Scripts / Pymol-script-repo
  Collected scripts for Pymol
  ☆502Updated 4 months ago
• ccsb-scripps / AutoDock-GPU
  AutoDock for GPUs and other accelerators
  ☆539Updated 2 months ago
• MolecularAI / REINVENT4
  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
  ☆625Updated 2 weeks ago
• harmslab / pdbtools
  A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files
  ☆180Updated 6 years ago
• forlilab / Meeko
  Interface for AutoDock, molecule parameterization
  ☆313Updated last week
• RosettaCommons / PyRosetta.notebooks
  Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
  ☆639Updated last year
• wallnerlab / DockQ
  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
  ☆347Updated last month
• Amber-MD / pytraj
  Python interface of cpptraj
  ☆184Updated last week