materialsproject / apiLinks
New API client for the Materials Project
☆143Updated 3 weeks ago
Alternatives and similar repositories for api
Users that are interested in api are comparing it to the libraries listed below
Sorting:
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆124Updated 2 weeks ago
- atomate2 is a library of computational materials science workflows☆238Updated this week
- A toolkit for visualizations in materials informatics.☆261Updated 2 weeks ago
- Automatic generation of crystal structure descriptions.☆123Updated this week
- MACE foundation models (MP, OMAT, Matpes)☆139Updated last month
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆201Updated 2 weeks ago
- CrySPY is a crystal structure prediction tool written in Python.☆135Updated last month
- Python package to aid materials design and informatics☆121Updated 3 weeks ago
- Matbench: Benchmarks for materials science property prediction☆164Updated last year
- Defect structure-searching employing chemically-guided bond distortions☆101Updated this week
- cp2k postprocessing tools☆68Updated 2 months ago
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆191Updated 2 weeks ago
- 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
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆149Updated last year
- A python library for calculating materials properties from the PES☆112Updated this week
- ☆110Updated 2 years ago
- Machine Learning Interatomic Potential Predictions☆91Updated last year
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆181Updated this week
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆180Updated this week
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆90Updated last month
- A Python library and command line interface for automated free energy calculations☆82Updated last month
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆155Updated 2 years ago
- ☆60Updated 4 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆146Updated 2 months ago
- Statistical Mechanics on Lattices☆82Updated this week
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆23Updated 2 months ago
- Classical molecular simulation code☆141Updated last year
- Anharmonic Lattice Dynamics☆159Updated this week