Alternatives and similar repositories for CALVADOS:

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

• maccallumlab / martini_openmm
  ☆54Updated last year
• tiwarylab / alphafold2rave
  ☆68Updated 9 months ago
• KULL-Centre / _2024_Cao_CALVADOSCOM
  ☆16Updated 2 weeks ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆46Updated this week
• pstansfeld / MemProtMD
  ☆38Updated 3 weeks ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆91Updated 7 months ago
• huhlim / cg2all
  Convert coarse-grained protein structure to all-atom model
  ☆37Updated 10 months ago
• maccallumlab / meld
  Modeling with limited data
  ☆57Updated 5 months ago
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆80Updated 10 months ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆83Updated last year
• paulrobustelli / Force-Fields
  Force Fields
  ☆57Updated 2 months ago
• freesasa / freesasa-python
  FreeSASA Python Module
  ☆54Updated last year
• HITS-MCM / gromacs-ramd
  Random Acceleration Molecular Dynamics in GROMACS
  ☆36Updated 9 months ago
• KULL-Centre / papers
  Material from papers from KULL centre
  ☆69Updated 10 months ago
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆69Updated 3 months ago
• xuhuihuang / GME_tutorials
  Tutorials for non-Markovian dynamic models (qMSM and IGME) to study protein dynamics.
  ☆23Updated 8 months ago
• fmaschietto / mdigest
  ☆31Updated 6 months ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆63Updated 2 years ago
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆56Updated 3 months ago
• srnas / barnaba
  Analyse Nucleic Acids Structure and Simulations with baRNAba
  ☆42Updated last year
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆32Updated last year
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆20Updated this week
• torchmd / torchmd-protein-thermodynamics
  Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics
  ☆80Updated 2 months ago
• KULL-Centre / DEERpredict
  Software for the prediction of DEER and PRE data from conformational ensembles.
  ☆12Updated last week
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆47Updated 5 months ago
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆19Updated 9 months ago
• tiwarylab / GrASP
  Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
  ☆50Updated last month
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• mirabdi / PDAnalysis
  ☆32Updated last year
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆52Updated last year