Alternatives and similar repositories for CALVADOS

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

• tiwarylab / alphafold2rave
  ☆68Updated 11 months ago
• maccallumlab / martini_openmm
  ☆54Updated 2 years ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆47Updated 3 weeks ago
• pstansfeld / MemProtMD
  ☆40Updated 3 weeks ago
• KULL-Centre / _2024_Cao_CALVADOSCOM
  ☆16Updated last month
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆85Updated last year
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆81Updated last month
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆95Updated 9 months ago
• huhlim / cg2all
  Convert coarse-grained protein structure to all-atom model
  ☆38Updated 11 months ago
• paulrobustelli / Force-Fields
  Force Fields
  ☆62Updated 4 months ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆63Updated 2 years ago
• maccallumlab / meld
  Modeling with limited data
  ☆57Updated 6 months ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆25Updated last week
• fmaschietto / mdigest
  ☆31Updated 7 months ago
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆19Updated 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 4 months ago
• openmm / openmm_workshops
  ☆35Updated 9 months ago
• aethertier / secstructartist
  A python module to plot secondary structure schemes
  ☆25Updated last year
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆33Updated last year
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆38Updated 2 weeks ago
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆50Updated 7 months ago
• tiwarylab / GrASP
  Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
  ☆51Updated 2 months ago
• mirabdi / PDAnalysis
  ☆32Updated last year
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆57Updated 5 months ago
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆57Updated this week
• mms-fcul / PypKa
  A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
  ☆60Updated last year
• KULL-Centre / DEERpredict
  Software for the prediction of DEER and PRE data from conformational ensembles.
  ☆12Updated last month
• KULL-Centre / papers
  Material from papers from KULL centre
  ☆69Updated last year
• HITS-MCM / gromacs-ramd
  Random Acceleration Molecular Dynamics in GROMACS
  ☆37Updated 10 months ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆60Updated 3 weeks ago