hackingmaterials / matminerLinks
Data mining for materials science
☆528Updated this week
Alternatives and similar repositories for matminer
Users that are interested in matminer are comparing it to the libraries listed below
Sorting:
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆254Updated 3 weeks ago
- An automatic engine for predicting materials properties.☆156Updated last year
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆449Updated last week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆255Updated 11 months ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆416Updated 3 weeks ago
- Graph deep learning library for materials☆357Updated this week
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆437Updated 6 months ago
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆313Updated 2 months ago
- A suite of computational materials science tools.☆136Updated last year
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆534Updated 2 years ago
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆113Updated 4 years ago
- A code to generate atomic structure with symmetry☆316Updated this week
- 🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.☆511Updated last week
- An open-source Python package for creating fast and accurate interatomic potentials.☆327Updated 3 weeks ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆290Updated 3 months ago
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆287Updated 2 months ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆364Updated last month
- A toolkit for visualizations in materials informatics.☆235Updated last week
- Public repo for Materials API documentation☆141Updated 2 years ago
- atomate2 is a library of computational materials science workflows☆223Updated last week
- Phonon code☆400Updated this week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆192Updated this week
- A Python package for manipulating atomistic data of software in computational science☆212Updated this week
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆764Updated this week
- Things that you should (and should not) do in your Materials Informatics research.☆186Updated last year
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆272Updated 2 months ago
- Python package to aid materials design and informatics☆110Updated last week
- Software for generating machine-learning interatomic potentials for LAMMPS☆167Updated last month
- Matbench: Benchmarks for materials science property prediction☆158Updated 10 months ago
- Manipulating VASP files with Python.☆284Updated 3 years ago