Alternatives and similar repositories for MolProbity

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

• ShintaroMinami / PyDSSP
  A simplified implementation of DSSP algorithm for PyTorch and NumPy
  ☆97Updated 6 months ago
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆83Updated 3 years ago
• Electrostatics / apbs
  Software for biomolecular electrostatics and solvation calculations
  ☆120Updated last year
• getcontacts / getcontacts
  Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
  ☆134Updated 2 years ago
• delalamo / af2_conformations
  A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2
  ☆98Updated 2 years ago
• rcsb / py-rcsbsearchapi
  Python interface for the RCSB PDB search API.
  ☆65Updated 9 months ago
• KULL-Centre / papers
  Material from papers from KULL centre
  ☆71Updated last year
• maccallumlab / meld
  Modeling with limited data
  ☆59Updated 2 weeks ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆115Updated last year
• ccsb-scripps / ADCP
  AutoDock CrankPep for peptide and disordered protein docking
  ☆55Updated 2 months ago
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆91Updated 5 years ago
• srnas / barnaba
  Analyse Nucleic Acids Structure and Simulations with baRNAba
  ☆47Updated last year
• KULL-Centre / CALVADOS
  ☆80Updated 2 months ago
• RashmiKumari / g_mmpbsa
  MM-PBSA method for GROMACS. For full description, please visit homepage:
  ☆68Updated 6 months ago
• patrickbryant1 / MoLPC
  Modelling of Large Protein Complexes
  ☆39Updated 4 months ago
• mittinatten / freesasa
  C-library for calculating Solvent Accessible Surface Areas
  ☆170Updated last month
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆91Updated 2 years ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆30Updated last month
• freesasa / freesasa-python
  FreeSASA Python Module
  ☆58Updated 4 months ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆36Updated last month
• dina-lab3D / CombFold
  ☆88Updated last year
• dptech-corp / Uni-GBSA
  An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…
  ☆123Updated last year
• DeltaGroupNJUPT / Vina-GPU-2.0
  Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.
  ☆113Updated 2 years ago
• Electrostatics / pdb2pqr
  PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
  ☆162Updated 3 weeks ago
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆130Updated last year
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆77Updated 8 months ago
• cmbi / hssp
  Create DSSP and HSSP files
  ☆94Updated last year
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆58Updated 4 months ago
• HWaymentSteele / AF_Cluster
  Predict multiple protein conformations using sequence clustering and AlphaFold2.
  ☆168Updated 2 months ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆85Updated last month