Alternatives and similar repositories for cheat

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

• kmcos / kmcos
  Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
  ☆23Updated 3 months ago
• ACEsuit / mace-foundations
  MACE foundation models (MP, OMAT, Matpes)
  ☆149Updated last month
• Eipgen / Neural-Network-Models-for-Chemistry
  A collection of Nerual Network Models for chemistry
  ☆164Updated this week
• MaginnGroup / PyLAT
  ☆111Updated 3 years ago
• zhangylch / REANN
  ☆62Updated 10 months ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆149Updated last year
• MDIL-SNU / SevenNet
  SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
  ☆193Updated this week
• MarsalekGroup / aml
  A... M... L...
  ☆50Updated 3 years ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆86Updated last year
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆54Updated last year
• QuantumLab-ZY / HamGNN
  An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix
  ☆123Updated this week
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆71Updated 4 months ago
• BingqingCheng / cace
  ☆97Updated last week
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆118Updated 3 weeks ago
• tobacco-mofs / tobacco_3.0
  ☆61Updated 4 years ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆60Updated 3 months ago
• brucefan1983 / GPUMD-Tutorials
  Tutorials related to GPUMD
  ☆53Updated 2 weeks ago
• by-student-2017 / lammps_education_reaxff_win
  ☆39Updated 8 months ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆126Updated last week
• chenggroup / ai2-kit
  A toolkit featured artificial intelligence × ab initio for computational chemistry research.
  ☆77Updated 2 weeks ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆66Updated 3 years ago
• core-cof / CoRE-COF-Database
  ☆60Updated last year
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆143Updated last year
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆70Updated last year
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆93Updated last year
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆74Updated 3 weeks ago
• atomly-materials-research-lab / GPTFF
  GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner
  ☆63Updated 6 months ago
• VASPsol / VASPsol
  ☆67Updated 5 months ago
• deepmodeling / reacnetgenerator
  an automatic reaction network generator for reactive molecular dynamics simulation
  ☆94Updated this week
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆129Updated this week