anthony-wang / BestPracticesLinks
Things that you should (and should not) do in your Materials Informatics research.
☆197Updated 2 years ago
Alternatives and similar repositories for BestPractices
Users that are interested in BestPractices are comparing it to the libraries listed below
Sorting:
- MSE5540/6640 Materials Informatics course at the University of Utah. Learn how data science tools are revolutionizing materials science!☆217Updated this week
- The Materials Project Workshop Curriculum☆117Updated 2 years ago
- Tool to quickly create a composition-based feature vector☆29Updated 3 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆132Updated last week
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆93Updated 6 months ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆274Updated last week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆234Updated last week
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆152Updated last year
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- A toolkit for visualizations in materials informatics.☆297Updated 3 weeks ago
- ☆112Updated 3 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆109Updated 3 years ago
- Classical molecular simulation code☆157Updated last year
- Public repo for Materials API documentation☆143Updated 3 years ago
- ☆102Updated 4 months ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆163Updated 2 years ago
- Heavyweight plotting tools for ab initio calculations☆241Updated 9 months ago
- Automatic generation of crystal structure descriptions.☆130Updated this week
- Code to help you get started using machine learning in materials science☆19Updated 6 years ago
- Python package to aid materials design and informatics☆128Updated last week
- MACE foundation models (MP, OMAT, mh-1)☆197Updated 2 months ago
- An automatic engine for predicting materials properties.☆169Updated 2 years ago
- New API client for the Materials Project☆158Updated this week
- atomate2 is a library of computational materials science workflows☆278Updated this week
- Defect structure-searching employing chemically-guided bond distortions☆112Updated last week
- CrySPY is a crystal structure prediction tool written in Python.☆145Updated 4 months ago
- A Highly Opinionated List of Open Source Materials Informatics Resources☆145Updated 3 years ago
- n2p2 - A Neural Network Potential Package☆241Updated 10 months ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆158Updated 2 months ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆182Updated 3 months ago