Alternatives and similar repositories for arpeggio

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

• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆70Updated 3 months ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆101Updated 10 months ago
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆87Updated 4 years ago
• getcontacts / getcontacts
  Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
  ☆122Updated last year
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆34Updated last year
• RashmiKumari / g_mmpbsa
  MM-PBSA method for GROMACS. For full description, please visit homepage:
  ☆67Updated 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…
  ☆112Updated 8 months ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆25Updated this week
• srnas / barnaba
  Analyse Nucleic Acids Structure and Simulations with baRNAba
  ☆44Updated last year
• freesasa / freesasa-python
  FreeSASA Python Module
  ☆55Updated last year
• ccsb-scripps / ADCP
  AutoDock CrankPep for peptide and disordered protein docking
  ☆51Updated 4 years ago
• tiwarylab / alphafold2rave
  ☆68Updated last year
• wolberlab / OpenMMDL
  Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
  ☆140Updated last month
• rcsb / py-rcsbsearchapi
  Python interface for the RCSB PDB search API.
  ☆64Updated 3 months ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆85Updated last year
• delalamo / af2_conformations
  A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2
  ☆96Updated last year
• czodrowskilab / VSFlow
  ☆92Updated 4 months ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆73Updated 10 months ago
• maccallumlab / meld
  Modeling with limited data
  ☆59Updated last week
• huhlim / alphafold-multistate
  ☆40Updated last year
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆122Updated 2 years ago
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆34Updated 5 months ago
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆90Updated 2 years ago
• Mickdub / gvp
  ☆83Updated last year
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆50Updated last month
• brianjimenez / pydock_tutorial
  PyDock Tutorial
  ☆32Updated 7 years ago
• ELELAB / RosettaDDGPrediction
  ☆70Updated 5 months ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆74Updated last year
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• ShintaroMinami / PyDSSP
  A simplified implementation of DSSP algorithm for PyTorch and NumPy
  ☆88Updated last month