usnistgov / jarvisLinks
About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/@dr_k_choudhary
☆354Updated last month
Alternatives and similar repositories for jarvis
Users that are interested in jarvis are comparing it to the libraries listed below
Sorting:
- A toolkit for visualizations in materials informatics.☆276Updated 2 weeks ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆265Updated this week
- atomate2 is a library of computational materials science workflows☆244Updated this week
- An automatic engine for predicting materials properties.☆164Updated last year
- New API client for the Materials Project☆148Updated this week
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆430Updated this week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆127Updated last month
- Electronic transport properties from first-principles calculations☆156Updated this week
- CrySPY is a crystal structure prediction tool written in Python.☆140Updated this week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Updated last year
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆330Updated 2 weeks ago
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆92Updated 3 months ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆216Updated 3 weeks ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆282Updated last month
- Automatic generation of crystal structure descriptions.☆125Updated 2 weeks ago
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆296Updated 6 months ago
- Heavyweight plotting tools for ab initio calculations☆231Updated 5 months ago
- Things that you should (and should not) do in your Materials Informatics research.☆193Updated last year
- Python package to aid materials design and informatics☆124Updated this week
- Graph deep learning library for materials☆432Updated this week
- A code to generate atomic structure with symmetry☆337Updated this week
- A Python package for manipulating atomistic data of software in computational science☆220Updated this week
- Software for generating machine-learning interatomic potentials for LAMMPS☆178Updated last month
- ☆225Updated 5 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆150Updated 4 months ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆193Updated this week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆169Updated 2 months ago
- An open-source Python package for creating fast and accurate interatomic potentials.☆335Updated last month
- The Materials Project Workshop Curriculum☆116Updated 2 years ago