Alternatives and similar repositories for PACKMAN

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

• rjdkmr / do_x3dna
  To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories.
  ☆26Updated 2 months ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆96Updated 9 months ago
• pstansfeld / MemProtMD
  ☆42Updated last month
• mirabdi / PDAnalysis
  ☆32Updated last year
• KULL-Centre / CALVADOS
  ☆66Updated last week
• ELELAB / pyinteraph2
  development repository for PyInteraph2
  ☆22Updated 3 months ago
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆42Updated last month
• openmm / openmm-cookbook
  The OpenMM Cookbook and Tutorials
  ☆44Updated last year
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆31Updated 2 weeks ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆55Updated this week
• julie-forman-kay-lab / IDPConformerGenerator
  Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space
  ☆23Updated 3 months ago
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆70Updated last week
• tiwarylab / alphafold2rave
  ☆68Updated 11 months ago
• kamerlinlab / KIN
  Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…
  ☆17Updated last year
• openmm / openmm_workshops
  ☆36Updated 9 months ago
• srnas / barnaba
  Analyse Nucleic Acids Structure and Simulations with baRNAba
  ☆44Updated last year
• KULL-Centre / FRETpredict
  Software for the prediction of FRET data from conformational ensembles.
  ☆23Updated 6 months ago
• graeter-group / grappa
  A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM
  ☆46Updated 3 weeks ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆63Updated 2 years ago
• matteoferla / MichelaNGLo-app
  A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site
  ☆28Updated 2 years ago
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆29Updated 3 weeks ago
• michellab / a3fe
  Automated Adaptive Absolute alchemical Free Energy calculator
  ☆97Updated 3 weeks ago
• dkoes / md-scripts
  A collections of scripts for working molecular dynamics simulations
  ☆43Updated last year
• kliment-olechnovic / voronota
  Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic b…
  ☆35Updated this week
• PDBeurope / ccdutils
  A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…
  ☆57Updated 3 months ago
• GodzikLab / FATCAT-dist
  ☆15Updated 2 years ago
• tekpinar / correlationplus
  A Python package to calculate, visualize and analyze correlation maps of proteins.
  ☆41Updated last month
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆25Updated this week
• seekrcentral / seekr2
  Simulation-Enabled Estimation of Kinetic Rates - Version 2
  ☆29Updated 3 months ago