Alternatives and similar repositories for ASAP

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

• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆91Updated last year
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆111Updated 9 months ago
• MaginnGroup / PyLAT
  ☆109Updated 2 years ago
• ACEsuit / mace-foundations
  MACE foundation models (MP, OMAT, Matpes)
  ☆136Updated last month
• zhangylch / REANN
  ☆60Updated 7 months ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆65Updated 11 months ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆81Updated last week
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆119Updated 3 months ago
• MarsalekGroup / aml
  A... M... L...
  ☆50Updated 3 years ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆67Updated last week
• materialsvirtuallab / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆108Updated 3 years ago
• BingqingCheng / cace
  ☆88Updated last week
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated 2 years ago
• ICAMS / python-ace
  ☆89Updated 8 months ago
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆95Updated 2 months ago
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆82Updated 3 weeks ago
• Andrew-S-Rosen / QMOF
  The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
  ☆146Updated 2 months ago
• tobacco-mofs / tobacco_3.0
  ☆60Updated 4 years ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆51Updated last year
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆63Updated 2 years ago
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆100Updated last month
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆49Updated 3 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆52Updated 7 years ago
• Eipgen / Neural-Network-Models-for-Chemistry
  A collection of Nerual Network Models for chemistry
  ☆152Updated last month
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆82Updated last year
• ulissigroup / GASpy
  ☆70Updated 4 years ago
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆171Updated this week
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆124Updated 2 years ago
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆122Updated 3 weeks ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆96Updated 3 years ago