Alternatives and similar repositories for resources

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

• anthony-wang / BestPractices
  Things that you should (and should not) do in your Materials Informatics research.
  ☆197Updated 2 years ago
• JARVIS-Materials-Design / jarvis-tools-notebooks
  This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…
  ☆93Updated 6 months ago
• hackingmaterials / automatminer
  An automatic engine for predicting materials properties.
  ☆169Updated 2 years ago
• blaiszik / Materials-Databases
  ☆102Updated 4 months ago
• sp8rks / MaterialsInformatics
  MSE5540/6640 Materials Informatics course at the University of Utah. Learn how data science tools are revolutionizing materials science!
  ☆217Updated this week
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆102Updated 8 months ago
• hachmannlab / chemml
  ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
  ☆171Updated 2 months ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆152Updated last year
• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆128Updated this week
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• SUNCAT-Center / CatLearn
  A machine learning environment for atomic-scale modeling in surface science and catalysis.
  ☆117Updated last year
• SergeiVKalinin / MSE_Fall2023
  The materials for the Fall ML in Materials course at the UTK MSE
  ☆88Updated 2 years ago
• lab-cosmo / chemiscope
  An interactive structure/property explorer for materials and molecules
  ☆167Updated this week
• materialyzeai / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆109Updated 3 years ago
• Teoroo-CMC / PiNN
  A Python library for building atomic neural networks
  ☆122Updated 2 weeks ago
• BingqingCheng / ML-in-chemistry-101
  The course materials for "Machine Learning in Chemistry 101"
  ☆84Updated 5 years ago
• anthony-wang / CrabNet
  Predict materials properties using only the composition information!
  ☆120Updated 2 years ago
• Andrew-S-Rosen / QMOF
  The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
  ☆158Updated 2 months ago
• TRI-AMDD / CAMD
  Agent-based sequential learning software for materials discovery
  ☆62Updated 2 years ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated this week
• hackingmaterials / matminer_examples
  A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code
  ☆120Updated 4 years ago
• materialyzeai / nano281
  Data Science for Materials Science
  ☆66Updated this week
• janosh / pymatviz
  A toolkit for visualizations in materials informatics.
  ☆297Updated 3 weeks ago
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆111Updated 3 months ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆130Updated this week
• ulissigroup / GASpy
  ☆73Updated 4 years ago
• hjkgrp / molSimplify
  molSimplify code
  ☆210Updated last week
• materialsproject / matbench
  Matbench: Benchmarks for materials science property prediction
  ☆187Updated last year
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆157Updated last year
• materialsproject / emmet
  Be a master builder of databases of material properties. Avoid the Kragle.
  ☆64Updated last week