Alternatives and similar repositories for dpti

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

• deepmodeling / dpgen2
  2nd generation of the Deep Potential GENerator
  ☆40Updated last month
• BingqingCheng / MLP-highP-H
  ☆17Updated 5 years ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆55Updated this week
• libAtoms / workflow
  python workflow toolkit
  ☆45Updated 2 weeks ago
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆53Updated 3 years ago
• mir-group / pair_nequip
  Deprecated - see `pair_nequip_allegro`
  ☆44Updated 8 months ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆40Updated 3 weeks ago
• argonne-lcf / active-learning-md
  Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…
  ☆28Updated 4 years ago
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆74Updated this week
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆23Updated last year
• ChengUCB / les
  ☆39Updated 3 weeks ago
• dilkins / TENSOAP
  Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)
  ☆21Updated 11 months ago
• tjz21 / DFT_PIB_Code
  Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
  ☆78Updated 2 months ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆69Updated last year
• openkim / kliff
  KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
  ☆40Updated last week
• nec-research / alebrew
  Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".
  ☆21Updated last year
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆56Updated 2 weeks ago
• ML-Materials-Standards / ml-materials-checklist
  ☆34Updated last year
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• lanl / NEXMD
  ☆33Updated last year
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆32Updated last year
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated this week
• metatensor / metatrain
  Train, fine-tune, and manipulate machine learning models for atomistic systems
  ☆51Updated this week
• deepmodeling / tutorials
  Tutorials for DeepModeling projects.
  ☆15Updated 9 months ago
• amirhajibabaei / AutoForce
  Sparse Gaussian Process Potentials
  ☆28Updated 3 months ago
• smutao / PyVibMS
  A PyMOL plugin for visualizing vibrations in molecules and solids
  ☆44Updated 3 months ago
• atomicarchitects / phonax
  ☆21Updated last year
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆71Updated this week
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆50Updated last year
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆48Updated last month