Alternatives and similar repositories for TENSOAP

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

• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆38Updated 2 weeks ago
• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆21Updated last month
• berquist / chargemol
  2017-09-26 Linux source.
  ☆13Updated 3 years ago
• BingqingCheng / MLP-highP-H
  ☆17Updated 4 years 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…
  ☆27Updated 3 years ago
• lab-cosmo / nice
  ☆12Updated last year
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated last year
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆31Updated 10 months ago
• smutao / PyVibMS
  A PyMOL plugin for visualizing vibrations in molecules and solids
  ☆42Updated 8 months ago
• GKieslich / crystIT
  Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…
  ☆16Updated last year
• dftd3 / tad-dftd3
  PyTorch Autodiff DFT-D3 Implementation.
  ☆19Updated 3 weeks ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆39Updated this week
• compchem-cybertraining / Tutorials_Libra
  Tutorials showcasing various capabilities of Libra
  ☆23Updated 2 weeks ago
• PabloPiaggi / EnvironmentFinder
  Tool for finding atomic environments in crystal structures
  ☆21Updated last month
• tbmalt / tbmalt
  Tight Binding Machine Learning Toolkit
  ☆38Updated this week
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆44Updated this week
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆52Updated 2 years ago
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆21Updated 7 years ago
• i-pi / tutorials-schools
  ☆17Updated 4 years ago
• tyst3273 / pynamic-structure-factor
  python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…
  ☆18Updated this week
• chkunkel / projection_viewer
  An interactive viewer
  ☆14Updated 5 years ago
• atomicarchitects / phonax
  ☆21Updated last year
• libAtoms / workflow
  python workflow toolkit
  ☆39Updated 4 months ago
• itamblyn / scripts
  ☆18Updated 6 years ago
• stfc / aiida-mlip
  machine learning interatomic potentials aiida plugin
  ☆9Updated last month
• ferchault / APDFT
  APDFT calculates quantumchemical results for many molecules at once.
  ☆14Updated last year
• atomisticnet / MLP-beginners-guide
  Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)
  ☆28Updated 4 years ago
• JoshuaSBrown / QC_Tools
  This small repository provides functionality for calculating the charge transfer integrals between two molecules.
  ☆31Updated 2 years ago
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆52Updated 2 years ago
• ZimmermanGroup / ZStruct
  code for ZStruct-2
  ☆14Updated 9 months ago