janosh / pymatvizLinks
A toolkit for visualizations in materials informatics.
☆281Updated last week
Alternatives and similar repositories for pymatviz
Users that are interested in pymatviz are comparing it to the libraries listed below
Sorting:
- atomate2 is a library of computational materials science workflows☆249Updated this week
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆199Updated last week
- New API client for the Materials Project☆150Updated this week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆129Updated this week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆221Updated last week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆343Updated 3 weeks ago
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆201Updated this week
- MACE foundation models (MP, OMAT, Matpes)☆164Updated last week
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆287Updated 2 months ago
- Matbench: Benchmarks for materials science property prediction☆174Updated last year
- Graph deep learning library for materials☆464Updated this week
- A code to generate atomic structure with symmetry☆345Updated last week
- Heavyweight plotting tools for ab initio calculations☆234Updated 6 months ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆437Updated 2 weeks ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆152Updated last year
- An open-source Python package for creating fast and accurate interatomic potentials.☆339Updated 2 months ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆270Updated 2 weeks ago
- Automatic generation of crystal structure descriptions.☆125Updated 3 weeks ago
- An automatic engine for predicting materials properties.☆167Updated 2 years ago
- An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix☆139Updated 2 weeks ago
- Python package to aid materials design and informatics☆127Updated last week
- Defect structure-searching employing chemically-guided bond distortions☆108Updated this week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Updated last year
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- CrySPY is a crystal structure prediction tool written in Python.☆144Updated last month
- Things that you should (and should not) do in your Materials Informatics research.☆194Updated 2 years ago
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆302Updated 7 months ago
- n2p2 - A Neural Network Potential Package☆241Updated 8 months ago
- A Python package for manipulating atomistic data of software in computational science☆235Updated this week
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆107Updated 3 years ago