Alternatives and similar repositories for painn-sli

Users that are interested in painn-sli are comparing it to the libraries listed below

• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆29Updated last week
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆37Updated 2 weeks ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆28Updated 3 months ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated 2 years ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆32Updated 3 months ago
• BingqingCheng / cace
  ☆77Updated this week
• QuantumMisaka / dpeva
  Deep Potential Evolution Accelerator
  ☆17Updated 2 weeks ago
• ulissigroup / Cleavage_Energy_Manuscript
  ☆10Updated 5 years ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆58Updated last week
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆55Updated last year
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated last year
• imagdau / aseMolec
  ☆26Updated 2 weeks ago
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆31Updated 2 months ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• initqp / somd
  Molecular dynamics package designed for the SIESTA DFT code.
  ☆15Updated last week
• QuantumMisaka / LASP_autotrain_lib
  LASP python library including scripts and auto-NNtrain workflow
  ☆19Updated last year
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆29Updated last year
• Shen-Group / E2GNN
  ☆16Updated 7 months ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆38Updated 2 weeks ago
• MDIL-SNU / G-metaD
  Metadynamics code on the G-space.
  ☆14Updated 3 years ago
• CSIprinceton / workshop-july-2023
  Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023
  ☆19Updated last year
• brucefan1983 / GPUMD-Tutorials
  Tutorials related to GPUMD
  ☆29Updated last month
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆35Updated 3 months ago
• zhangylch / FIREANN
  add the influence of external field to REANN model
  ☆24Updated 9 months ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆44Updated this week
• sliutheorygroup / UniPero
  ☆10Updated 3 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 3 years ago
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆29Updated 2 months ago
• yuanyue-liu-group / CP-VASP
  ☆44Updated 8 months ago
• mtap-research / PACMAN-charge
  ☆21Updated 2 months ago