Alternatives and similar repositories for allen-tildesley:

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

• choderalab / thermopyl
  Tools for ThermoML parsing
  ☆20Updated 3 years ago
• noid-group / BOCS
  Bottom-up Open-source Coarse-graining Software
  ☆17Updated 6 months ago
• mosdef-hub / mbuild_tutorials
  A set of tutorials to introduce new users to mBuild
  ☆10Updated 3 years ago
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆43Updated 3 months ago
• timvdm / Avogadro-Packmol-Extension
  An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.
  ☆11Updated 14 years ago
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆26Updated 10 months ago
• giorginolab / vmd_diffusion_coefficient
  Computing Diffusion Coefficients in Macromolecular Simulations: The Diffusion Coefficient Tool for VMD
  ☆31Updated 2 years ago
• atoms-ufrj / playmol
  Playmol is a(nother) software for building molecular models
  ☆18Updated last year
• chemreps / chemreps
  Implementation of various machine learning representations for molecules
  ☆24Updated 3 years ago
• GiovanniBussi / simplemd
  A simple Lennard-Jones molecular dynamics software
  ☆25Updated 7 months ago
• HMakkiMD / PolySMart
  Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package
  ☆17Updated 6 months ago
• virtualzx-nad / pypackmol
  Python wrapper for packmol molecule packing program
  ☆10Updated 9 years ago
• 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 last year
• m3g / Packmol.jl
  The future of Packmol
  ☆29Updated 3 months ago
• yesint / pteros
  Modern and fast molecular analysis and modeling library for C++ and Python
  ☆36Updated 8 months ago
• henriasv / molecular-builder
  Builder for molecular systems
  ☆16Updated last year
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆36Updated 2 years ago
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆30Updated 6 months ago
• molmod / tamkin
  TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
  ☆22Updated last year
• hsidky / ann_sampling
  Learning free energy landscapes using artificial neural networks
  ☆14Updated 7 years ago
• ReactionMechanismGenerator / AutoTST
  AutoTST: A framework to perform automated transition state theory calculations
  ☆37Updated 6 months ago
• nlesc-nano / auto-FOX
  A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
  ☆11Updated last year
• leelasd / OPLS-AAM
  Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files
  ☆11Updated 9 years ago
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆22Updated this week
• cstein / neb
  Nudged-Elastic Band implementation in python
  ☆23Updated 8 years ago
• mphowardlab / azplugins
  A HOOMD-blue component for soft matter simulations.
  ☆22Updated 3 weeks ago
• tylerjereddy / diffusion_analysis_MD_simulations
  Python utility functions for the analysis of diffusion in molecular dynamics simulation trajectories.
  ☆16Updated 2 years ago
• Cascella-Group-UiO / HyMD
  Massively parallel hybrid particle-field molecular dynamics in Python.
  ☆27Updated 5 months ago
• matthewghgriffiths / fastoverlap
  Algorithms for fast alignment of structures in finite and periodic systems.
  ☆11Updated 2 years ago
• MDAnalysis / MDAPackmol
  MDAnalysis wrapper around Packmol
  ☆29Updated last year