Alternatives and similar repositories for chap:

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

• openmm / openmm_workshops
  ☆33Updated 7 months ago
• Abdelazim-Abdelgawwad / easyPARM
  easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…
  ☆13Updated last week
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆78Updated 7 months ago
• pstansfeld / MemProtMD
  ☆38Updated last week
• MDAnalysis / MDAKits
  The MDAnalysis Toolkits Registry
  ☆17Updated this week
• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆34Updated 2 months ago
• MobleyLab / Training
  Lab policies, training, style guides, etc.
  ☆35Updated last year
• jchodera / statmech-for-biochemists
  A primer on statistical mechanics for biochemists
  ☆46Updated 2 years ago
• npschafer / openawsem
  An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM
  ☆36Updated 8 months ago
• LLNL / ddcMD
  A fully GPU-accelerated molecular dynamics program for the Martini force field
  ☆34Updated last year
• p-j-smith / lipyphilic
  A Python toolkit for the analyis of lipid membrane simulations
  ☆30Updated 3 weeks ago
• ChenGiuseppe / PyMM
  A Python program for QM/MM Simulations based on the Perturbed Matrix Method
  ☆25Updated last year
• tiwarylab / State-Predictive-Information-Bottleneck
  ☆25Updated last year
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆55Updated 3 months ago
• mobiochem / MoBioTools
  A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…
  ☆29Updated last year
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆52Updated 3 months ago
• vuqv / cosmo
  COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM
  ☆12Updated last year
• bigginlab / OxCompBio
  Materials for the oxford computational biochemistry course including python
  ☆45Updated 2 years ago
• victor-gil-sepulveda / pyRMSD
  pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of str…
  ☆26Updated 4 years ago
• RedesignScience / cvpack
  Useful Collective Variables for OpenMM
  ☆13Updated 11 months ago
• insilichem / ommprotocol
  A command line application to launch molecular dynamics simulations with OpenMM
  ☆40Updated 3 years ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆40Updated last year
• 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…
  ☆53Updated 11 months ago
• OpenFreeEnergy / cinnabar
  Package for consistent reporting of relative free energy results
  ☆39Updated 2 weeks ago
• whitead / marvis
  VMD Audio/Text control with natural language
  ☆19Updated 3 years ago
• ldomic / lintools
  Python script that creates 2D protein-ligand interaction images
  ☆14Updated 6 years ago
• MobleyLab / chemper
  Repository for Chemical Perception Sampling Tools
  ☆20Updated 7 months ago
• philipwfowler / simple-membrane-protein-analysis
  This is a short tutorial showing how to use both VMD and MDAnalysis to analyse a molecular dynamics simulation of a membrane protein.
  ☆27Updated 4 years ago
• lilyminium / psiresp
  RESP with inter- and intra-molecular constraints in Psi4.
  ☆30Updated last year
• markovmodel / mdshare
  Get access to our MD data files.
  ☆28Updated last year