Alternatives and similar repositories for molecularRotationalGrids

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

• Edinburgh-Chemistry-Teaching / Data-driven-chemistry
  ☆36Updated 2 years ago
• whitead / skunk
  Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.
  ☆87Updated 5 months ago
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆118Updated this week
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆209Updated this week
• scotthartley / blmol
  A script for importing molecular geometries into Blender
  ☆35Updated 3 years ago
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆98Updated 4 months ago
• pdebuyl-lab / tidynamics
  A tiny package to compute the dynamics of stochastic and molecular simulations
  ☆31Updated 2 years ago
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆33Updated last year
• patrickfuchs / buildH
  Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.
  ☆15Updated 3 years ago
• thorn-lab / coronavirus_structural_task_force
  Repository for the molecular structures related with Corona virusses and their re-processing
  ☆64Updated 10 months ago
• choderalab / automatic-equilibration-detection
  Automatic detection of equilibrated regions of molecular simulations
  ☆17Updated 9 years ago
• deepanshs / mrsimulator
  A fast solid-state NMR spectrum simulation and analysis library.
  ☆45Updated last month
• markovmodel / pyemma_tutorials
  How to analyze molecular dynamics data with PyEMMA
  ☆82Updated 6 years ago
• MLMI2-CSSI / foundry
  Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
  ☆85Updated 2 weeks ago
• mphowardlab / azplugins
  A HOOMD-blue component for soft matter simulations.
  ☆25Updated last week
• bio-phys / asyncmd
  asyncmd is a library to write concurrent code to run and analyze molecular dynamics simulations using pythons async/await syntax. Computa…
  ☆20Updated last month
• marrink-lab / MDVoxelSegmentation
  A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.
  ☆32Updated 3 months ago
• HITS-MBM / kimmdy
  reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)
  ☆13Updated 6 years ago
• MDAnalysis / distopia
  SIMD instructions for faster distance calculations.
  ☆24Updated 3 months ago
• materials-data-facility / awesome-bayesian-optimization
  ☆44Updated last year
• IvanChernyshov / NistChemPy
  Python API for NIST Chemistry WebBook
  ☆49Updated 6 months ago
• HITS-MBM / gromacs-fda
  Force Distribution Analysis (FDA) for GROMACS
  ☆35Updated last year
• dmzuckerman / Sampling-Uncertainty
  Best Practices article intended for LiveCoMS
  ☆42Updated 6 years ago
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆86Updated 2 weeks ago
• mphowardlab / gsd-vmd
  A VMD molfile plugin reader for HOOMD-blue GSD files.
  ☆20Updated last year
• ghutchis / chem1000
  Jupyter Noteboks for lecture and assignments for CHEM 1000: Mathematics for Chemistry at University of Pittsburgh
  ☆28Updated last month
• croningp / Paper-AssemblyTreeOfLife
  Code associated with the paper "Exploring and Mapping Chemical Space with Molecular Assembly Trees"
  ☆23Updated 4 years ago
• pythoninchemistry / intro_python_chemists
  An open-source, online textbook introducing Python programming to chemistry students
  ☆27Updated 5 years ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• MolSSI-Education / python-package-best-practices
  Hands-on workshop showing good software development practices to create a Python package.
  ☆42Updated 6 months ago