Alternatives and similar repositories for PBxplore:

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

• msmbuilder / msmexplorer
  Data visualizations for biomolecular dynamics
  ☆18Updated 6 years ago
• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆52Updated 3 years ago
• mmtsb / toolset
  MMTSB Tool Set
  ☆31Updated 4 months ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆37Updated 11 months ago
• jchodera / statmech-for-biochemists
  A primer on statistical mechanics for biochemists
  ☆46Updated 2 years ago
• AZCompTox / AZOrange
  AstraZeneca add-ons to Orange.
  ☆22Updated 4 years ago
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆42Updated 10 months ago
• pstansfeld / MemProtMD
  ☆33Updated 2 months ago
• rjdkmr / do_x3dna
  To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories.
  ☆23Updated last week
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆53Updated 2 years ago
• RUBi-ZA / MD-TASK
  Tool suite for analysing molecular dynamics trajectories using network analysis and PRS
  ☆42Updated 9 months ago
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆35Updated this week
• samuelmurail / gromacs_py
  Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…
  ☆43Updated 2 years ago
• vanderkamp / enlighten2
  Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems
  ☆19Updated 3 years ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆87Updated 6 months ago
• williamdlees / AmberUtils
  Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods
  ☆20Updated 5 years ago
• ChenGiuseppe / PyMM
  A Python program for QM/MM Simulations based on the Perturbed Matrix Method
  ☆25Updated last year
• openmm / openmm-cookbook
  The OpenMM Cookbook and Tutorials
  ☆41Updated last year
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆53Updated last week
• sokrypton / tf_proteins
  some tools for working with protein (PDB) files in tensorflow
  ☆11Updated 5 years ago
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆42Updated last month
• Becksteinlab / propkatraj
  pKa estimates for proteins using an ensemble approach
  ☆27Updated 5 months ago
• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆34Updated last month
• Lucy-Forrest-Lab / HDXer
  HDXer is a package to compute Hydrogen-Deuterium exchange data from biomolecular simulations, compare to experiment, and perform ensemble…
  ☆19Updated last year
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆64Updated 3 years ago
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆53Updated 2 months ago
• aretasg / dockit
  High-throughput molecular docking with multiple targets and ligands using Vina series engines
  ☆31Updated 4 years ago
• mobiochem / MoBioTools
  A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…
  ☆28Updated last year
• openmm / openmm_workshops
  ☆33Updated 6 months ago