Alternatives and similar repositories for SPARC-X-API

Users that are interested in SPARC-X-API are comparing it to the libraries listed below

• ICAMS / python-ace
  ☆101Updated last year
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆81Updated last month
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆56Updated 3 weeks ago
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆40Updated 10 months ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆97Updated this week
• AegisIK / DistMLIP
  DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
  ☆92Updated 4 months ago
• materialyzeai / matcalc
  A python library for calculating materials properties from the PES
  ☆130Updated this week
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆25Updated last year
• BingqingCheng / cace
  ☆117Updated 3 weeks ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated last month
• materialyzeai / matpes
  A foundational potential energy dataset for materials
  ☆50Updated 3 weeks ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆134Updated 2 weeks ago
• ulissigroup / vasp-interactive
  ☆73Updated 2 years ago
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆92Updated this week
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆72Updated this week
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆48Updated 2 weeks ago
• Xiaoxun-Gong / HPRO
  HPRO: Hamiltonian Projection and Reconstruction to atomic Orbitals
  ☆29Updated last year
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆57Updated 2 months ago
• ICAMS / lammps-user-pace
  ☆31Updated last month
• ChengUCB / les
  ☆41Updated this week
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆70Updated this week
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆129Updated last week
• JinukMoon / CatBench
  CatBench - Benchmark Framework of Machine Learning Interatomic Potentials in Adsorption Energy Predictions
  ☆48Updated last month
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆63Updated 2 months ago
• atomicarchitects / phonax
  ☆21Updated last year
• ACEsuit / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆51Updated last week
• bartolsthoorn / SOAPY
  SOAP (Smooth Overlap of Atomic Positions) implementation with numpy
  ☆11Updated 7 years ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆69Updated last year
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆69Updated 3 months ago
• qiqb-osaka / mace-osaka24
  MACE_Osaka24 models
  ☆25Updated last year