Alternatives and similar repositories for MemProtMD

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

• KULL-Centre / CALVADOS
  ☆71Updated 3 months ago
• tiwarylab / alphafold2rave
  ☆69Updated last year
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆58Updated last month
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆47Updated 3 months ago
• mirabdi / PDAnalysis
  ☆32Updated last year
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆106Updated last year
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆22Updated last year
• KULL-Centre / DEERpredict
  Software for the prediction of DEER and PRE data from conformational ensembles.
  ☆12Updated 4 months ago
• patrickbryant1 / MoLPC
  Modelling of Large Protein Complexes
  ☆37Updated last month
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆61Updated 8 months ago
• maccallumlab / meld
  Modeling with limited data
  ☆59Updated 2 months ago
• 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 last month
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆87Updated 2 years ago
• patrickbryant1 / RareFold
  Structure prediction and design of proteins with noncanonical amino acids
  ☆97Updated last week
• KULL-Centre / papers
  Material from papers from KULL centre
  ☆69Updated last year
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆60Updated last month
• fmaschietto / mdigest
  ☆34Updated 11 months ago
• tiwarylab / GrASP
  Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
  ☆53Updated 2 months ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆34Updated 2 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
• 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
• gph82 / mdciao
  mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
  ☆35Updated 2 weeks ago
• tommyhuangthu / FASPR
  Fast, accurate, and deterministic protein side-chain packing
  ☆36Updated 6 months ago
• freesasa / freesasa-python
  FreeSASA Python Module
  ☆56Updated last month
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆36Updated 3 months ago
• JoaoRodrigues / openmm_scripts
  Collection of Python scripts to setup and run simulations with OpenMM
  ☆17Updated 5 years ago
• paulrobustelli / Force-Fields
  Force Fields
  ☆64Updated 7 months ago
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆87Updated 4 years 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
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆70Updated 2 weeks ago