Alternatives and similar repositories for ICSDClient

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

• wengroup / matten
  MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials
  ☆44Updated last week
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• CederGroupHub / s4
  Solid-state synthesis science analyzer. Thermo, features, ML, and more.
  ☆26Updated 3 years ago
• lsmo-epfl / aiida-raspa
  The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net
  ☆13Updated 2 years ago
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆47Updated last week
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆54Updated last month
• Atomic-Samplers / quansino
  `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms
  ☆28Updated last week
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆63Updated last month
• janosh / ffonons
  Phonons from ML force fields
  ☆23Updated 5 months ago
• nomad-coe / pyzeo
  Python interface for the zeo++ package
  ☆15Updated 4 months ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆60Updated last week
• ulissigroup / vasp-interactive
  ☆72Updated 2 years ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated 2 years ago
• lsmo-epfl / aiida-lsmo
  AiiDA workflows for the LSMO laboratory at EPFL
  ☆10Updated 2 years ago
• CJBartel / TestStabilityML
  ☆26Updated 2 years ago
• hspark1212 / crystal-gnn
  A Benchmarking Framework for Crystal GNNs
  ☆20Updated last year
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆54Updated last week
• AegisIK / DistMLIP
  DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
  ☆91Updated 3 months ago
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆41Updated 2 months ago
• WMD-group / MLFF
  A collection of files related to machine learning force fields
  ☆23Updated 2 years ago
• MPA2suite / k_SRME
  Heat-conductivity benchmark test for foundational machine-learning potentials
  ☆29Updated 4 months ago
• killiansheriff / AtomisticReverseMonteCarlo
  OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
  ☆27Updated 10 months ago
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆52Updated last year
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆32Updated last year
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆37Updated 8 months ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆36Updated 9 months ago
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆23Updated 7 years ago
• Materials-Consortia / optimade-tutorial-exercises
  Tutorial exercises for the OPTIMADE API
  ☆17Updated 2 years ago
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated last year