Alternatives and similar repositories for XenonPy

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

• matlantis / matlantis-contrib
  ☆46Updated this week
• matlantis / atomistic-simulation-tutorial
  Atomistic simulation hands on tutorial on Matlantis
  ☆62Updated 4 months ago
• RadonPy / RadonPy
  RadonPy is a Python library to automate physical property calculations for polymer informatics.
  ☆224Updated this week
• Tomoki-YAMASHITA / CrySPY
  CrySPY is a crystal structure prediction tool written in Python.
  ☆144Updated 2 months ago
• anthony-wang / CrabNet
  Predict materials properties using only the composition information!
  ☆117Updated 2 years ago
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆59Updated 3 years ago
• Fung-Lab / MatDeepLearn
  MatDeepLearn, package for graph neural networks in materials chemistry
  ☆198Updated 2 years ago
• atomisticnet / tools-and-data
  A collection of tools and databases for atomistic machine learning
  ☆48Updated 4 years ago
• hjkgrp / molSimplify
  molSimplify code
  ☆202Updated this week
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆41Updated 2 years ago
• yoshida-lab / MTL_ChiParameter
  Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters
  ☆17Updated last year
• NU-CUCIS / ElemNet
  Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction
  ☆98Updated 2 years ago
• hackingmaterials / automatminer
  An automatic engine for predicting materials properties.
  ☆168Updated 2 years ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆152Updated last year
• ppdebreuck / modnet
  MODNet: a framework for machine learning materials properties
  ☆103Updated 7 months ago
• RishikeshMagar / OGCNN
  Crystal graph convolutional neural networks for predicting material properties.
  ☆34Updated 3 years ago
• ulissigroup / GASpy
  ☆73Updated 4 years ago
• quantumbeam / BBO-Rietveld
  Automated crystal structure analysis based on blackbox optimisation
  ☆34Updated last year
• pfnet-research / charge_transfer_nnp
  Graph neural network potential with charge transfer
  ☆36Updated 3 years ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• kaist-amsg / imatgen
  image-based generative model for inverse design of solid state materials
  ☆41Updated 3 years ago
• materialsproject / matbench
  Matbench: Benchmarks for materials science property prediction
  ☆178Updated last year
• Open-Catalyst-Project / Open-Catalyst-Dataset
  Workflow for creating and analyzing the Open Catalyst Dataset
  ☆120Updated 10 months ago
• Andrew-S-Rosen / QMOF
  The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
  ☆155Updated 3 weeks ago
• stefanch / sGDML
  sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model
  ☆160Updated 6 months ago
• atomistic-machine-learning / SchNOrb
  Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions
  ☆69Updated 6 years ago
• pfnet-research / torch-dftd
  pytorch implementation of dftd2 & dftd3 (not actively maintained)
  ☆88Updated last year
• txie-93 / gdynet
  Unsupervised learning of atomic scale dynamics from molecular dynamics.
  ☆83Updated 3 years ago
• aspuru-guzik-group / gpHSP
  Code to build a probabilistic predictive model for HSP
  ☆37Updated 3 years ago