Alternatives and similar repositories for arpeggio

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

• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆36Updated last month
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆77Updated 8 months ago
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆91Updated 5 years ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆116Updated last year
• getcontacts / getcontacts
  Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
  ☆134Updated 2 years ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆91Updated 2 years ago
• ccsb-scripps / ADCP
  AutoDock CrankPep for peptide and disordered protein docking
  ☆55Updated 2 months ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆56Updated last week
• czodrowskilab / VSFlow
  ☆100Updated 10 months ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆30Updated last month
• 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
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆45Updated 6 years ago
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆40Updated 6 months ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆127Updated 2 years ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆116Updated last year
• RashmiKumari / g_mmpbsa
  MM-PBSA method for GROMACS. For full description, please visit homepage:
  ☆68Updated 7 months ago
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆44Updated last month
• ShintaroMinami / PyDSSP
  A simplified implementation of DSSP algorithm for PyTorch and NumPy
  ☆97Updated 6 months ago
• freesasa / freesasa-python
  FreeSASA Python Module
  ☆58Updated 4 months ago
• PKUGaoGroup / DSDP
  Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …
  ☆63Updated 6 months ago
• Mickdub / gvp
  ☆89Updated last year
• katritchlab / V-SYNTHES
  ☆78Updated 4 years ago
• wolberlab / OpenMMDL
  Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
  ☆157Updated 3 weeks ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆79Updated last year
• delalamo / af2_conformations
  A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2
  ☆98Updated 2 years ago
• POVME / POVME3
  A pocket volume analyzer for use in protein modeling.
  ☆59Updated 3 years ago
• fergaljd / cyclops
  ☆19Updated 11 months ago
• huhlim / alphafold-multistate
  ☆42Updated last year
• tiwarylab / alphafold2rave
  ☆69Updated last year
• bunzela / AIzymes
  ☆63Updated 2 months ago