Alternatives and similar repositories for MemProtMD

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

• KULL-Centre / CALVADOS
  ☆79Updated 2 months ago
• tiwarylab / alphafold2rave
  ☆69Updated last year
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆59Updated last month
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆48Updated 7 months ago
• maccallumlab / meld
  Modeling with limited data
  ☆59Updated last week
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆63Updated last week
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆23Updated last year
• patrickbryant1 / RareFold
  Structure prediction and design of proteins with noncanonical amino acids
  ☆112Updated 3 weeks ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆36Updated last month
• osita-sunday-nnyigide / Pras_Server
  Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …
  ☆28Updated 4 months ago
• gph82 / mdciao
  mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
  ☆36Updated 2 weeks ago
• KULL-Centre / FRETpredict
  Software for the prediction of FRET data from conformational ensembles.
  ☆22Updated last year
• tommyhuangthu / FASPR
  Fast, accurate, and deterministic protein side-chain packing
  ☆36Updated 10 months ago
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆66Updated 11 months ago
• KULL-Centre / DEERpredict
  Software for the prediction of DEER and PRE data from conformational ensembles.
  ☆12Updated 7 months ago
• log-md / logmd
  ☆67Updated 8 months ago
• mirabdi / PDAnalysis
  ☆34Updated 2 years ago
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆32Updated last month
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆86Updated this week
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆72Updated this week
• tiwarylab / GrASP
  Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
  ☆54Updated 6 months 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…
  ☆74Updated 2 months ago
• dwhswenson / contact_map
  Contact map analysis for biomolecules; based on MDTraj
  ☆47Updated last year
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆69Updated 7 months ago
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆45Updated last month
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆40Updated 6 months ago
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆89Updated 5 months ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆115Updated last year
• patrickbryant1 / MoLPC
  Modelling of Large Protein Complexes
  ☆39Updated 4 months ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆91Updated 2 years ago