Alternatives and similar repositories for micki

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

• ajmedford / catmap
  Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
  ☆13Updated 9 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆50Updated 3 years ago
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆75Updated 8 months ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated 2 years ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆49Updated 3 years ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆39Updated last week
• MaginnGroup / PyLAT
  ☆108Updated 2 years ago
• ICAMS / python-ace
  ☆87Updated 7 months ago
• mogroupumd / aimd
  ☆42Updated 7 years ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆38Updated 4 months ago
• ulissigroup / GASpy
  ☆68Updated 4 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆87Updated 10 months ago
• VASPsol / VASPsol
  ☆52Updated 2 months ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆53Updated 2 weeks ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆95Updated 3 years ago
• tobacco-mofs / tobacco_3.0
  ☆56Updated 4 years ago
• materialsvirtuallab / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆107Updated 3 years ago
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆26Updated 2 years ago
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆99Updated last week
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆49Updated last week
• aiidateam / aiida-cp2k
  The CP2K plugin for the AiiDA workflow and provenance engine.
  ☆24Updated last week
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆50Updated last year
• PabloPiaggi / Crystallization-of-Silicon
  Tutorial: Crystallization of silicon using enhanced sampling simulations
  ☆18Updated last year
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆95Updated last week
• jrschmidt2 / periodic-NBO
  ☆36Updated 5 years ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆28Updated 4 months ago
• yuanyue-liu-group / CP-VASP
  ☆44Updated 9 months ago
• materialsproject / mpmorph
  MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…
  ☆70Updated last year