Alternatives and similar repositories for openmm-cookbook

Users that are interested in openmm-cookbook are comparing it to the libraries listed below

• OpenFreeEnergy / ExampleNotebooks
  Notebooks demonstrating how to do simple tasks related to free energy calculations.
  ☆52Updated 2 weeks ago
• Degiacomi-Lab / molearn
  protein conformational spaces meet machine learning
  ☆47Updated 3 months ago
• OpenBioSim / sire
  Sire Molecular Simulations Framework
  ☆59Updated this week
• pstansfeld / MemProtMD
  ☆45Updated 5 months ago
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆38Updated 6 months ago
• tekpinar / correlationplus
  A Python package to calculate, visualize and analyze correlation maps of proteins.
  ☆41Updated last month
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆63Updated 9 months ago
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆31Updated 3 weeks ago
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆23Updated last year
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆58Updated 2 months ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆43Updated 3 weeks ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆68Updated 2 years ago
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆47Updated 4 months ago
• gnina / SolTranNet
  Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility
  ☆39Updated 4 years ago
• tiwarylab / alphafold2rave
  ☆70Updated last year
• 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 month
• KULL-Centre / CALVADOS
  ☆72Updated this week
• shirtsgroup / cg_openmm
  Tools to build coarse grained models and perform simulations with OpenMM
  ☆24Updated 2 years ago
• log-md / logmd
  ☆64Updated 5 months ago
• samuelmurail / gromacs_py
  Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…
  ☆49Updated 3 years ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆79Updated last month
• MatthijsHak / MetalDock
  Dock organometallic compounds to proteins/DNA/biomolecules
  ☆17Updated 4 months ago
• Honza-R / PL-REX
  Data set of protein-ligand complexes with reliable experimental structures and affinities
  ☆43Updated last week
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆74Updated 2 weeks ago
• gph82 / mdciao
  mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
  ☆36Updated last week
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆55Updated 3 years ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆61Updated 3 weeks ago
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆45Updated 2 years ago
• chavesejf / PBEE
  A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes
  ☆37Updated last week
• ale94mleon / moldrug
  moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ​
  ☆37Updated last week