hackingmaterials / matminer
Data mining for materials science
☆511Updated this week
Alternatives and similar repositories for matminer:
Users that are interested in matminer are comparing it to the libraries listed below
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆239Updated 7 months ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆250Updated 7 months ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆393Updated last week
- An automatic engine for predicting materials properties.☆147Updated last year
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆419Updated 5 months ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆521Updated last year
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆418Updated 2 months ago
- A suite of computational materials science tools.☆135Updated 11 months ago
- Graph deep learning library for materials☆315Updated this week
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆109Updated 3 years ago
- A Highly Opinionated List of Open Source Materials Informatics Resources☆126Updated 3 years ago
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆285Updated 2 months ago
- Public repo for Materials API documentation☆140Updated 2 years ago
- Things that you should (and should not) do in your Materials Informatics research.☆183Updated last year
- A code to generate atomic structure with symmetry☆301Updated this week
- MSE5540/6640 Materials Informatics course at the University of Utah. Learn how data science tools are revolutionizing materials science!☆137Updated this week
- An open-source Python package for creating fast and accurate interatomic potentials.☆311Updated last month
- A book on modeling materials using VASP, ase and vasp☆369Updated 7 months ago
- ☆85Updated 9 years ago
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆326Updated this week
- atomate2 is a library of computational materials science workflows☆194Updated this week
- The Materials Project Workshop Curriculum☆114Updated 2 years ago
- pyiron - an integrated development environment (IDE) for computational materials science.☆386Updated last month
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆277Updated last week
- Materials science with Python at the atomic-scale☆204Updated last month
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆107Updated this week
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆357Updated 5 months ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆164Updated last month
- Phonon code☆382Updated this week
- 🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.☆451Updated this week