Alternatives and similar repositories for pysisso

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

• 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
• 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
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆43Updated 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
• Jiaxuan-Ma / MatDesign
  MatDesign: a programming-free AI platform to predict and design materials
  ☆80Updated last month
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆42Updated last year
• HouGroup / InterOptimus
  High-throughput simulation for crystalline interfaces
  ☆17Updated 2 weeks ago
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆39Updated 3 months ago
• nguyen-group / GNNOpt
  Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
  ☆33Updated last year
• tobacco-mofs / tobacco_3.0
  ☆69Updated 4 years ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• njszym / XRD-AutoAnalyzer
  ☆120Updated 6 months ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆84Updated 8 months ago
• zhangylch / REANN
  ☆63Updated last year
• Diego-2504 / CGCNN_tutorial
  Crystal Graph Convolutional Neural Networks tutorial
  ☆31Updated 2 years ago
• PV-Lab / FTCP
  FTCP code
  ☆36Updated 2 years ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆40Updated last month
• 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
• PaulsonLab / TorchSISSO
  ☆33Updated 5 months ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆67Updated 3 years ago
• vxfung / MatDeepLearn_DOS
  MatDeepLearn for DOS prediction
  ☆26Updated 3 years ago
• lrcfmd / ipcsp
  Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings
  ☆48Updated 2 years ago
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆115Updated last year
• tongzhugroup / mddatasetbuilder
  A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  ☆41Updated last week
• VASPsol / VASPsol
  ☆75Updated 9 months ago
• Teoroo-CMC / PiNN
  A Python library for building atomic neural networks
  ☆122Updated 2 weeks ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆72Updated last week
• 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
• yuanyue-liu-group / CP-MACE
  ☆36Updated 4 months ago