Alternatives and similar repositories for pysisso

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

• chuanqixu / SISSOkit
  Modules for cross validation, evaluation and plot of SISSO
  ☆16Updated 6 years ago
• ruihwang / MOF-CGCNN
  We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …
  ☆21Updated 4 years ago
• Diego-2504 / CGCNN_tutorial
  Crystal Graph Convolutional Neural Networks tutorial
  ☆31Updated 2 years ago
• rouyang2017 / SISSO
  A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.
  ☆352Updated 2 weeks ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆43Updated 2 years ago
• ziyuanrao11 / Machine-learning-enabled-high-entropy-alloy-discovery
  This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'
  ☆83Updated 2 years ago
• deepmaterials / dlmatreview
  Repository for links to software packages and databases used in deep-learning applications for materials science
  ☆150Updated 9 months ago
• HouGroup / InterOptimus
  High-throughput simulation for crystalline interfaces
  ☆17Updated 2 weeks ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• Jiaxuan-Ma / MatDesign
  MatDesign: a programming-free AI platform to predict and design materials
  ☆80Updated last month
• tobacco-mofs / tobacco_3.0
  ☆69Updated 4 years ago
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆39Updated 3 months ago
• MGEdata / SuperalloyDigger
  The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …
  ☆66Updated 7 months ago
• nguyen-group / GNNOpt
  Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
  ☆33Updated last year
• kmcos / kmcos
  Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
  ☆24Updated 7 months ago
• vxfung / DOSnet
  ☆17Updated 4 years ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆42Updated 3 years ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆67Updated 3 years ago
• PV-Lab / FTCP
  FTCP code
  ☆36Updated 2 years ago
• njszym / XRD-AutoAnalyzer
  ☆120Updated 6 months ago
• PaulsonLab / TorchSISSO
  ☆33Updated 5 months ago
• usccolumbia / AlphaCrystal
  AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction
  ☆10Updated 2 years ago
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆54Updated 2 years ago
• dembart / BVlain
  The Bond valence site energy calculator
  ☆21Updated 5 months ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆130Updated last week
• uowoolab / MEPO-ML
  A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.
  ☆13Updated 5 months ago
• VASPsol / VASPsol
  ☆75Updated 9 months ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆84Updated 8 months ago
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆115Updated last year
• vxfung / MatDeepLearn_DOS
  MatDeepLearn for DOS prediction
  ☆26Updated 3 years ago