hackingmaterials / automatminerLinks
An automatic engine for predicting materials properties.
☆169Updated 2 years ago
Alternatives and similar repositories for automatminer
Users that are interested in automatminer are comparing it to the libraries listed below
Sorting:
- Automatic generation of crystal structure descriptions.☆127Updated this week
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆120Updated 4 years ago
- Matbench: Benchmarks for materials science property prediction☆180Updated last year
- Python package to aid materials design and informatics☆129Updated this week
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆116Updated last year
- General purpose tools for high-throughput catalysis☆100Updated 7 months ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆273Updated last week
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆133Updated last week
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆109Updated 3 years ago
- atomate2 is a library of computational materials science workflows☆265Updated this week
- A toolkit for visualizations in materials informatics.☆294Updated last week
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆114Updated last year
- ☆73Updated 4 years ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Updated last year
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆93Updated 6 months ago
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- CrySPY is a crystal structure prediction tool written in Python.☆144Updated 3 months ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆158Updated 2 months ago
- Public repo for Materials API documentation☆143Updated 3 years ago
- A suite of computational materials science tools.☆141Updated last year
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆152Updated last year
- ☆102Updated 4 months ago
- New API client for the Materials Project☆155Updated this week
- Things that you should (and should not) do in your Materials Informatics research.☆196Updated 2 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆43Updated 2 years ago
- Repository for links to software packages and databases used in deep-learning applications for materials science☆150Updated 8 months ago
- DFT optimised crystal structures of inorganic and hybrid halide perovskites☆107Updated 6 years ago
- Predict materials properties using only the composition information!☆119Updated 2 years ago
- A Python library and command line interface for automated free energy calculations☆86Updated 3 weeks ago