Alternatives and similar repositories for Python-Notebooks-for-Physical-Chemistry

Users that are interested in Python-Notebooks-for-Physical-Chemistry are comparing it to the libraries listed below

• MaginnGroup / Cassandra
  Cassandra is a Monte Carlo package to conduct atomistic simulations.
  ☆48Updated last year
• arm61 / pylj
  Teaching Utility for Classical Atomistic Simulation.
  ☆30Updated last year
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆108Updated 2 weeks ago
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆54Updated 3 weeks ago
• velocirobbie / make-graphitics
  ☆45Updated 5 years ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆87Updated 3 years ago
• lammpstutorials / lammpstutorials-article
  A Set of Tutorials for the LAMMPS Simulation Package
  ☆36Updated 3 weeks ago
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆96Updated 5 months ago
• simongravelle / pyplot-perso
  Personal functions for making Pyplot Python figures
  ☆18Updated last year
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆124Updated 3 weeks ago
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆22Updated 5 years ago
• tjz21 / DFT_PIB_Code
  Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
  ☆77Updated last month
• CMMRLab / LUNAR
  ☆48Updated last week
• pauliacomi / pyGAPS
  A framework for processing adsorption data and isotherm fitting
  ☆77Updated 7 months ago
• henriasv / lammps-logfile
  Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.
  ☆64Updated 7 months ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 5 months ago
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆42Updated 3 years ago
• Allen-Tildesley / data
  Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…
  ☆15Updated 8 years ago
• MaginnGroup / PyLAT
  ☆111Updated 3 years ago
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆26Updated 2 years ago
• orlandoacevedo / DES
  Deep eutectic solvent force field parameters (OPLS-DES)
  ☆14Updated 3 years ago
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆144Updated last year
• materialscloud-org / learn-fireside
  ☆21Updated 4 years ago
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆129Updated this week
• sametz / nmrsim
  A Python library for NMR simulation
  ☆25Updated last year
• marykcoe / cDFT_Package
  A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an in…
  ☆26Updated 3 years ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 2 months ago
• omidshy / analyze-md
  A collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.
  ☆20Updated 2 weeks ago
• ulissigroup / math-methods-chemical-engineering
  Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…
  ☆24Updated 3 years ago