janosh / pymatvizLinks
A toolkit for visualizations in materials informatics.
☆261Updated 2 weeks ago
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☆238Updated this week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆323Updated 4 months ago
- New API client for the Materials Project☆143Updated 3 weeks ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆201Updated 2 weeks ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆124Updated 2 weeks ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆180Updated this week
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆191Updated 2 weeks ago
- A code to generate atomic structure with symmetry☆331Updated 3 weeks ago
- An open-source Python package for creating fast and accurate interatomic potentials.☆333Updated 2 months ago
- MACE foundation models (MP, OMAT, Matpes)☆139Updated last month
- Matbench: Benchmarks for materials science property prediction☆164Updated last year
- Graph deep learning library for materials☆407Updated this week
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆257Updated 3 weeks ago
- Automatic generation of crystal structure descriptions.☆123Updated this week
- An automatic engine for predicting materials properties.☆162Updated last year
- n2p2 - A Neural Network Potential Package☆238Updated 5 months ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆149Updated last year
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆426Updated 3 weeks ago
- CrySPY is a crystal structure prediction tool written in Python.☆135Updated last month
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆275Updated this week
- Heavyweight plotting tools for ab initio calculations☆227Updated 3 months ago
- Things that you should (and should not) do in your Materials Informatics research.☆192Updated last year
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆146Updated 2 months ago
- A Python package for manipulating atomistic data of software in computational science☆215Updated this week
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆181Updated this week
- Python package to aid materials design and informatics☆121Updated 3 weeks ago
- Machine Learning Interatomic Potential Predictions☆91Updated last year
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆443Updated last month
- An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix☆111Updated 2 weeks ago
- The Materials Project Workshop Curriculum☆116Updated 2 years ago