bio-phys / BioEn

Related projects ⓘ

Alternatives and complementary repositories for BioEn

• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆33Updated 2 months ago
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆55Updated last week
• MDAnalysis / membrane-curvature
  MDAnalysis tool to calculate membrane curvature.
  ☆29Updated 3 months ago
• nglviewer / mdsrv
  MD trajectory server
  ☆35Updated last year
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆63Updated last month
• bio-phys / PyDHAMed
  Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
  ☆19Updated 6 years ago
• markovmodel / pyemma_tutorials
  How to analyze molecular dynamics data with PyEMMA
  ☆72Updated 5 years ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆76Updated 2 months ago
• LoLab-MSM / PyBILT
  Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.
  ☆24Updated 3 years ago
• shirtsgroup / checkensemble
  This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …
  ☆14Updated 6 years ago
• BrooksResearchGroup-UM / FastMBAR
  A fast solver for large scale MBAR/UWHAM equations
  ☆37Updated 2 months ago
• jchodera / statmech-for-biochemists
  A primer on statistical mechanics for biochemists
  ☆46Updated 2 years ago
• FATSLiM / fatslim
  Main code repository for FATSLiM
  ☆21Updated 2 years ago
• rinikerlab / Ensembler
  Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…
  ☆51Updated 6 months ago
• Lucy-Forrest-Lab / HDXer
  HDXer is a package to compute Hydrogen-Deuterium exchange data from biomolecular simulations, compare to experiment, and perform ensemble…
  ☆17Updated last year
• p-j-smith / lipyphilic
  A Python toolkit for the analyis of lipid membrane simulations
  ☆29Updated 5 months ago
• RMeli / spyrmsd
  📐 Symmetry-corrected RMSD in Python
  ☆85Updated this week
• noegroup / reform
  A simple implementation of replica exchange MD simulations for OpenMM.
  ☆22Updated 3 years ago
• KULL-Centre / BME
  Integrating Molecular Simulation and Experimental Data
  ☆21Updated 3 years ago
• MobleyLab / blues
  Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling
  ☆33Updated 2 years ago
• drorlab / pensa
  PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
  ☆87Updated 3 months ago
• openmm / openmm-ml
  High level API for using machine learning models in OpenMM simulations
  ☆82Updated 3 months ago
• MobleyLab / benchmarksets
  Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
  ☆42Updated 3 years ago
• KULL-Centre / FRETpredict
  Software for the prediction of FRET data from conformational ensembles.
  ☆22Updated last week
• maccallumlab / martini_openmm
  ☆49Updated last year
• bio-phys / pydiffusion
  Analyse Rotational Diffusion Tensor from MD Simulations
  ☆16Updated 3 weeks ago
• jgreener64 / mmterm
  View proteins and trajectories in the terminal
  ☆103Updated 4 years ago
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆59Updated last week
• osmart / hole2
  Source code for HOLE program.
  ☆30Updated 3 months ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆36Updated 7 months ago