Alternatives and similar repositories for unsupervised-ml:

Users that are interested in unsupervised-ml are comparing it to the libraries listed below

• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆33Updated last month
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated 11 months ago
• stfc / janus-core
  Tools for machine learnt interatomic potentials
  ☆21Updated this week
• rpw199912j / matsci_animation
  materials science related animations
  ☆11Updated last month
• IonRepo / IonDiff
  Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.
  ☆11Updated last month
• ml-evs / this-material-does-not-exist
  Vote on whether you think predicted crystal structures could be synthesised
  ☆17Updated 6 months ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆31Updated last year
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆33Updated this week
• 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
• ulissigroup / charge-density-models
  ☆11Updated last year
• Materials-Consortia / optimade-tutorial-exercises
  Tutorial exercises for the OPTIMADE API
  ☆15Updated last year
• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆19Updated last week
• atomicarchitects / phonax
  ☆19Updated 11 months ago
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆15Updated 3 months ago
• PabloPiaggi / EnvironmentFinder
  Tool for finding atomic environments in crystal structures
  ☆21Updated 7 months ago
• hspark1212 / crystal-gnn
  A Benchmarking Framework for Crystal GNNs
  ☆17Updated last year
• lab-cosmo / atomistic-cookbook
  A cookbook with recipes for atomic-scale modeling of materials and molecules
  ☆18Updated this week
• BlauGroup / HiPRGen
  ☆21Updated 3 months ago
• danieleongari / EQeq
  Charge equilibration method for crystal structures
  ☆11Updated 2 years ago
• Andrew-S-Rosen / mof_screen
  High-throughput DFT of MOFs using ASE/VASP
  ☆26Updated last year
• libAtoms / workflow
  python workflow toolkit
  ☆37Updated this week
• nomad-coe / pyzeo
  Python interface for the zeo++ package
  ☆9Updated 6 months ago
• JaGeo / Advanced_Jobflow_Tutorial
  This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …
  ☆17Updated last year
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• virtualatoms / AnisoNet
  This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…
  ☆10Updated 7 months ago
• spglib / moyo
  Library for Crystal Symmetry in Rust
  ☆42Updated this week
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆31Updated last week
• smutao / PyVibMS
  A PyMOL plugin for visualizing vibrations in molecules and solids
  ☆42Updated 4 months ago
• JaGeo / TutorialAtomate2Forcefields
  Tutorial to learn basic features of atomate2
  ☆13Updated 5 months ago