Alternatives and similar repositories for allen-tildesley

Users that are interested in allen-tildesley are comparing it to the libraries listed below

• Allen-Tildesley / corrections
  Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…
  ☆31Updated 2 years ago
• jvermaas / LigninBuilder
  VMD Plugin and associated scripts to build lignin structures from topological specifications
  ☆14Updated last week
• mosdef-hub / mbuild_tutorials
  A set of tutorials to introduce new users to mBuild
  ☆11Updated 3 years ago
• dmorse / simpatico
  Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
  ☆33Updated 2 years ago
• askeys / tutorials
  Computational Statistical Mechanics Tutorials
  ☆14Updated 12 years ago
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆36Updated 2 years ago
• votca / csg
  Coarse-graining potentials from atomistic references made easy
  ☆26Updated 3 years ago
• atoms-ufrj / playmol
  Playmol is a(nother) software for building molecular models
  ☆18Updated 2 years ago
• giorginolab / vmd_diffusion_coefficient
  Computing Diffusion Coefficients in Macromolecular Simulations: The Diffusion Coefficient Tool for VMD
  ☆31Updated 2 years ago
• timvdm / Avogadro-Packmol-Extension
  An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.
  ☆11Updated 15 years ago
• digital-chemistry-laboratory / libdlfind
  libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library
  ☆17Updated last year
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆26Updated last year
• m3g / Packmol.jl
  The future of Packmol
  ☆33Updated last week
• virtualzx-nad / pypackmol
  Python wrapper for packmol molecule packing program
  ☆11Updated 9 years ago
• choderalab / thermopyl
  Tools for ThermoML parsing
  ☆20Updated 3 years ago
• opencdft / cdftpy
  ☆13Updated 3 years ago
• weiHelloWorld / accelerated_sampling_with_autoencoder
  Accelerated sampling framework with autoencoder-based method
  ☆24Updated 5 years ago
• GiovanniBussi / simplemd
  A simple Lennard-Jones molecular dynamics software
  ☆25Updated 10 months ago
• MDAnalysis / MDAPackmol
  MDAnalysis wrapper around Packmol
  ☆31Updated 2 years ago
• Cascella-Group-UiO / HyMD
  Massively parallel hybrid particle-field molecular dynamics in Python.
  ☆27Updated 8 months ago
• andysim / helpme
  helPME: an efficient library for particle mesh Ewald
  ☆28Updated 3 years ago
• mphowardlab / azplugins
  A HOOMD-blue component for soft matter simulations.
  ☆22Updated last month
• leelasd / OPLS-AAM
  Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files
  ☆12Updated 9 years ago
• p-j-smith / lipyphilic
  A Python toolkit for the analyis of lipid membrane simulations
  ☆30Updated 2 months ago
• jeffcomer / DiffusionFusion
  Calculate position-dependent diffusivity functions from trajectory data (usually from molecular dynamics). The approach is described in h…
  ☆11Updated last month
• jhenin / qwrap
  Fast PBC wrapping and unwrapping for VMD
  ☆23Updated 5 months ago
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆52Updated this week
• GOMC-WSU / py-MCMD
  This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles
  ☆37Updated 3 weeks ago
• grimme-lab / numsa
  Solvent accessible surface area calculation
  ☆17Updated 2 months ago
• hsidky / ann_sampling
  Learning free energy landscapes using artificial neural networks
  ☆14Updated 7 years ago