Alternatives and similar repositories for LJ-Argon

Users that are interested in LJ-Argon are comparing it to the libraries listed below

• nutjunkie / IQmol
  IQmol is an open source molecular editor and visualization package
  ☆106Updated 3 years ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆116Updated 3 weeks ago
• orbkit / orbkit
  A Toolbox for Post-Processing Quantum Chemical Wavefunction Data
  ☆99Updated 4 years ago
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆87Updated 2 weeks ago
• funkymunkycool / Cube-Toolz
  Python tool to manipulate Gaussian cube files
  ☆49Updated 2 years ago
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆86Updated 3 months ago
• molmod / molmod
  MolMod is a collection of molecular modelling tools for python.
  ☆60Updated last year
• zorkzou / Molden2AIM
  Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.
  ☆59Updated 5 months ago
• i-pi / i-pi-archive
  A Universal Force Engine
  ☆36Updated 7 years ago
• ChiCheng45 / Gaussium
  A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.
  ☆69Updated 4 years ago
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆110Updated 2 months ago
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆89Updated 2 years ago
• fevangelista / Course-QuantumChemistryLab
  Course material for an undergraduate quantum chemistry lab class
  ☆52Updated last year
• rpmuller / pyquante2
  Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
  ☆157Updated last week
• tjz21 / DFT_PIB_Code
  Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
  ☆78Updated 2 months ago
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆128Updated 3 years ago
• lanl / PYSEQM
  an interface to semi-empirical quantum chemistry methods implemented with pytorch
  ☆72Updated 2 weeks ago
• theochem / iodata
  Python library for reading, writing, and converting computational chemistry file formats and generating input files.
  ☆147Updated 3 weeks ago
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆138Updated 2 weeks ago
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆100Updated 11 months ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆205Updated this week
• jevandezande / zmatrix
  A class for conversion between zmatrices and cartesian coordinates
  ☆34Updated 5 years ago
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• MolSSI / QCSchema
  A Schema for Quantum Chemistry
  ☆103Updated 3 years ago
• patonlab / FullMonte
  Automated Monte Carlo Conformational Searching with Python
  ☆17Updated 5 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 7 years ago
• leeping / geomeTRIC
  Geometry optimization code that includes the TRIC coordinate system
  ☆197Updated last month
• openmm / openmmexampleplugin
  An example of how to write a plugin for OpenMM
  ☆31Updated last year
• sharc-md / sharc
  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…
  ☆76Updated 7 months ago