ncfrey / resources

Related projects: ⓘ

• anthony-wang / BestPractices
  Things that you should (and should not) do in your Materials Informatics research.
  ☆172Updated 10 months ago
• sp8rks / MaterialsInformatics
  MSE5540/6640 Materials Informatics course at the University of Utah
  ☆105Updated this week
• JARVIS-Materials-Design / jarvis-tools-notebooks
  A Google-Colab Notebook Collection for Materials Design: https://jarvis.nist.gov/
  ☆62Updated last month
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆98Updated this week
• hackingmaterials / automatminer
  An automatic engine for predicting materials properties.
  ☆136Updated 10 months ago
• blaiszik / Materials-Databases
  ☆74Updated 9 years ago
• anthony-wang / CrabNet
  Predict materials properties using only the composition information!
  ☆88Updated last year
• janosh / pymatviz
  A toolkit for visualizations in materials informatics.
  ☆156Updated last week
• hackingmaterials / matminer_examples
  A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code
  ☆102Updated 3 years ago
• SergeiVKalinin / MSE_Fall2023
  The materials for the Fall ML in Materials course at the UTK MSE
  ☆80Updated 9 months ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆85Updated 7 months ago
• wolverton-research-group / qmpy
  A suite of computational materials science tools.
  ☆128Updated 5 months ago
• materialsvirtuallab / nano281
  Data Science for Materials Science
  ☆59Updated 6 months ago
• Kaaiian / CBFV
  Tool to quickly create a composition-based feature vector
  ☆25Updated 2 years ago
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆111Updated last year
• tilde-lab / awesome-materials-informatics
  Curated list of known efforts in materials informatics, i.e. in modern materials science
  ☆368Updated 2 months ago
• materialsproject / matbench
  Matbench: Benchmarks for materials science property prediction
  ☆111Updated last month
• TRI-AMDD / CAMD
  Agent-based sequential learning software for materials discovery
  ☆59Updated 7 months ago
• hackingmaterials / atomate
  atomate is a powerful software for computational materials science and contains pre-built workflows.
  ☆241Updated 2 months ago
• materialsvirtuallab / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆223Updated 2 months ago
• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆95Updated last week
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆93Updated this week
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆36Updated last year
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆84Updated 2 months ago
• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆152Updated this week
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆123Updated 2 months ago
• ulissigroup / GASpy
  ☆64Updated 3 years ago
• hachmannlab / chemml
  ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
  ☆160Updated 11 months ago
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆176Updated last week
• hjkgrp / molSimplify
  molSimplify code
  ☆168Updated this week