Alternatives and similar repositories for ATST-Tools

Users that are interested in ATST-Tools are comparing it to the libraries listed below

• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆50Updated 3 months ago
• VASPsol / VASPsol
  ☆75Updated 9 months ago
• ulissigroup / vasp-interactive
  ☆73Updated 2 years ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆42Updated last year
• yuanyue-liu-group / CP-VASP
  ☆62Updated last year
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆48Updated 3 weeks ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆44Updated 11 months ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 6 years ago
• QuantumMisaka / LASP_autotrain_lib
  LASP python library including scripts and auto-NNtrain workflow
  ☆20Updated 2 years ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆72Updated this week
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆62Updated 7 months ago
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆31Updated last week
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆44Updated 2 weeks ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆41Updated this week
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆45Updated 2 years ago
• yuanyue-liu-group / CP-MACE
  ☆35Updated 4 months ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆31Updated 2 years ago
• QuantumMisaka / dpeva
  Deep Potential Evolution Accelerator
  ☆20Updated this week
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆22Updated 2 years ago
• mogroupumd / aimd
  ☆45Updated 7 years ago
• zhangylch / REANN
  ☆63Updated last year
• aradi / SCPC-Method
  ☆29Updated last year
• MarsalekGroup / aml
  A... M... L...
  ☆52Updated 3 years ago
• BingqingCheng / LES-BEC
  ☆17Updated 3 months ago
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆62Updated 4 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆28Updated 2 years ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆36Updated 4 months ago
• masayoshi-ogura / HDNNP
  high dimensional neural network potential
  ☆22Updated 3 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago