Alternatives and similar repositories for atomistic-simulation-tutorial:

Users that are interested in atomistic-simulation-tutorial are comparing it to the libraries listed below

• matlantis-pfcc / matlantis-contrib
  ☆36Updated this week
• Tomoki-YAMASHITA / CrySPY
  CrySPY is a crystal structure prediction tool written in Python.
  ☆127Updated 10 months ago
• yoshida-lab / MTL_ChiParameter
  Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters
  ☆14Updated last year
• pfnet-research / torch-dftd
  pytorch implementation of dftd2 & dftd3 (not actively maintained)
  ☆76Updated 4 months ago
• giprayogo / SHRY
  A tool for generating unique ordered structures corresponding to a given disordered structure.
  ☆17Updated last year
• MarsalekGroup / aml
  A... M... L...
  ☆47Updated 3 years ago
• pfnet-research / charge_transfer_nnp
  Graph neural network potential with charge transfer
  ☆35Updated 3 years ago
• quantumbeam / BBO-Rietveld
  Automated crystal structure analysis based on blackbox optimisation
  ☆27Updated 5 months ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆47Updated last week
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆43Updated 6 months ago
• atomisticnet / tools-and-data
  A collection of tools and databases for atomistic machine learning
  ☆48Updated 3 years ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆55Updated last week
• by-student-2017 / lammps_education_reaxff_win
  ☆37Updated last month
• issp-center-dev / abICS
  ab-Initio Configuration Sampling tool kit (abICS)
  ☆17Updated 4 months ago
• Crespo-Otero-group / fromage
  Framework for Molecular Aggregate Excitation
  ☆22Updated last week
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆73Updated 3 weeks ago
• ulissigroup / vasp-interactive
  ☆66Updated last year
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆90Updated last year
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics
  ☆56Updated 3 weeks ago
• masayoshi-ogura / HDNNP
  high dimensional neural network potential
  ☆23Updated 2 years ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆50Updated this week
• tobacco-mofs / tobacco_3.0
  ☆53Updated 4 years ago
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆24Updated 3 months ago
• kumagai-group / vise
  VASP Integrated Supporting Environment
  ☆22Updated last month
• bjmorgan / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆65Updated 2 weeks ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated last year
• imagdau / aseMolec
  ☆25Updated 11 months ago
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆52Updated last year
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆65Updated 3 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 3 years ago