Alternatives and similar repositories for FUSE-stable:

Users that are interested in FUSE-stable are comparing it to the libraries listed below

• Minoru938 / CSPML
  Original implementation of CSPML
  ☆24Updated 3 months ago
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆24Updated 3 weeks ago
• MDIL-SNU / SPINNER
  SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
  ☆13Updated 8 months ago
• lrcfmd / ICSDClient
  A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…
  ☆17Updated 4 months ago
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated last year
• janosh / ffonons
  Phonons from ML force fields
  ☆17Updated 2 months ago
• bzkarimi / VASP
  Practical guide on how to use VASP
  ☆19Updated 4 years ago
• CumbyLab / gridrdf
  Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…
  ☆12Updated last year
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆21Updated 3 weeks ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆32Updated last year
• wengroup / matten
  MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials
  ☆36Updated 2 months ago
• nomad-coe / pyzeo
  Python interface for the zeo++ package
  ☆9Updated 7 months ago
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆28Updated last year
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆53Updated 3 weeks ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆33Updated last week
• Materials-Consortia / optimade-tutorial-exercises
  Tutorial exercises for the OPTIMADE API
  ☆15Updated last year
• hyllios / CGAT
  Crystal graph attention neural networks for materials prediction
  ☆27Updated last year
• CJBartel / TestStabilityML
  ☆27Updated last year
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆36Updated this week
• usnistgov / tb3py
  TB3Py: Two- and three-body tight-binding calculations for materials
  ☆16Updated 6 months ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆54Updated 2 years ago
• hspark1212 / crystal-gnn
  A Benchmarking Framework for Crystal GNNs
  ☆17Updated last year
• lsmo-epfl / zeopp-lsmo
  zeo++ fork of the LSMO
  ☆12Updated 2 years ago
• michaeldalverson / CrysTens
  ☆24Updated 7 months ago
• CederGroupHub / s4
  Solid-state synthesis science analyzer. Thermo, features, ML, and more.
  ☆24Updated 2 years ago
• dakarhanek / VASP-infrared-intensities
  A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
  ☆24Updated 11 months ago
• Andrew-S-Rosen / mof_screen
  High-throughput DFT of MOFs using ASE/VASP
  ☆27Updated last year
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆35Updated last month
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆52Updated 10 months ago
• killiansheriff / AtomisticReverseMonteCarlo
  OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
  ☆23Updated 2 months ago