Alternatives and similar repositories for CALVADOS

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

• pstansfeld / MemProtMD
  ☆45Updated 4 months ago
• tiwarylab / alphafold2rave
  ☆69Updated last year
• maccallumlab / meld
  Modeling with limited data
  ☆59Updated 2 months ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆106Updated last year
• paulrobustelli / Force-Fields
  Force Fields
  ☆64Updated 7 months ago
• KULL-Centre / _2024_Cao_CALVADOSCOM
  ☆16Updated 5 months ago
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆47Updated 3 months ago
• fmaschietto / mdigest
  ☆34Updated 11 months ago
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆83Updated 2 months ago
• freesasa / freesasa-python
  FreeSASA Python Module
  ☆56Updated last month
• KULL-Centre / papers
  Material from papers from KULL centre
  ☆69Updated last year
• maccallumlab / martini_openmm
  ☆56Updated 2 years ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆58Updated last month
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆73Updated last month
• npschafer / openawsem
  An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM
  ☆36Updated 3 months ago
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆71Updated 7 months ago
• xuhuihuang / GME_tutorials
  Tutorials for non-Markovian dynamic models (qMSM and IGME) to study protein dynamics.
  ☆24Updated last year
• mirabdi / PDAnalysis
  ☆32Updated last year
• drorlab / pensa
  PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
  ☆143Updated 7 months ago
• huhlim / cg2all
  Convert coarse-grained protein structure to all-atom model
  ☆43Updated 3 months ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆87Updated 2 years ago
• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆36Updated last month
• KULL-Centre / DEERpredict
  Software for the prediction of DEER and PRE data from conformational ensembles.
  ☆12Updated 4 months ago
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆22Updated last year
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆67Updated 2 years ago
• PDBeurope / ccdutils
  A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…
  ☆68Updated last week
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆58Updated 10 months ago
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆61Updated 8 months ago
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆87Updated 4 years ago
• ShintaroMinami / PyDSSP
  A simplified implementation of DSSP algorithm for PyTorch and NumPy
  ☆91Updated 3 months ago