Alternatives and similar repositories for Atif:

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

• Iourarum / GOPY
  ☆27Updated 2 years ago
• tommason14 / modified_polymatic
  ☆12Updated 2 years ago
• CMMRLab / LUNAR
  ☆33Updated last week
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆36Updated this week
• dmorse / pscfpp
  Polymer Self-Consistent Field Theory (C++/CUDA version)
  ☆34Updated this week
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆51Updated 2 years ago
• yuxiangwang321 / DensityCalculator
  A TCL code for the calculation of mass/number density of a system.
  ☆17Updated 10 months ago
• paduagroup / tutorial-lmp
  Running a molecular simulation with the polarizable force field in LAMMPS
  ☆19Updated 2 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆61Updated 8 months ago
• dspoel / IR-Spectra
  Code and examples to compute IR spectra from normal mode analysis
  ☆13Updated 2 years ago
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆36Updated last year
• kdfong / transport-coefficients-MSD
  Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.
  ☆24Updated 3 years ago
• kolmank / interfaceff2gro
  A python script to prepare GROMACS input files using INTERFACE forcefield
  ☆23Updated 3 years ago
• velocirobbie / make-graphitics
  ☆43Updated 4 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated last year
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆77Updated last year
• sfalmo / NeuralDFT
  Neural functional theory for inhomogeneous fluids: Fundamentals and applications
  ☆9Updated last month
• atomistic-ml / ani-1xnr
  Machine learning interatomic potential for condensed-phase reactive chemistry
  ☆19Updated 10 months ago
• joeyelk / MD-Structure-Factor
  Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories
  ☆17Updated 5 years ago
• mholmboe / atom
  Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems
  ☆21Updated 2 weeks ago
• by-student-2017 / lammps_education_reaxff_win
  ☆37Updated 2 months ago
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆35Updated 2 years ago
• simongravelle / pyplot-perso
  Personal functions for making Pyplot Python figures
  ☆16Updated 6 months ago
• XinChenQC / MEPplot
  A GUI program for plotting Minimal energy path on potential energy surface.
  ☆38Updated 4 years ago
• bio-phys / cnt-martini
  Generates Martini models for open carbon nanotubes to use with Gromacs.
  ☆15Updated 3 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• m3g / Packmol.jl
  The future of Packmol
  ☆31Updated 3 weeks ago
• m-bone / AutoMapper
  A package of tools for automating the file preparation for the LAMMPS fix bond/react.
  ☆18Updated 2 years ago
• cmelab / GIXStapose
  An interactive structure viewer alongside its simulated diffraction pattern
  ☆18Updated last month
• mme-ucl / CmuMD
  CmuMD implementation for PLUMED2
  ☆16Updated last year