Agent-based sequential learning software for materials discovery
☆62Feb 7, 2024Updated 2 years ago
Alternatives and similar repositories for CAMD
Users that are interested in CAMD are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 3 years ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated last year
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Nov 28, 2023Updated 2 years ago
- Simmate: a full-stack framework for chemistry research.☆36Updated this week
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- An automatic engine for predicting materials properties.☆168Nov 12, 2023Updated 2 years ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆495Aug 28, 2025Updated 6 months ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- Building blocks for scientific data pipelines☆43Mar 16, 2026Updated last week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Jul 18, 2024Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44Mar 14, 2026Updated last week
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆73Feb 28, 2024Updated 2 years ago
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated last year
- ☆42Mar 14, 2026Updated last week
- A python library for calculating materials properties from the PES☆132Mar 17, 2026Updated last week
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆33Apr 8, 2024Updated last year
- materials science related animations☆13Jan 9, 2025Updated last year
- Minimum-strain symmetrization of Bravais lattices☆18May 14, 2020Updated 5 years ago
- Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.☆30May 17, 2021Updated 4 years ago
- A tool for finding optimized SQS structures tool written in C++☆66Mar 14, 2026Updated last week
- The Wren sits on its Roost in the Aviary.☆61Jan 6, 2026Updated 2 months ago
- Analyse molecular dynamics simulations of solid-state ion transport by assigning mobile ions to discrete sites☆18Updated this week
- MODNet: a framework for machine learning materials properties☆106May 2, 2025Updated 10 months ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆19Aug 2, 2023Updated 2 years ago
- Graph neural network for predicting energy of known and hypothetical crystal structures☆10Jan 26, 2022Updated 4 years ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆78Updated this week
- ☆22Jan 25, 2023Updated 3 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-S…☆12Sep 29, 2023Updated 2 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆15Dec 19, 2025Updated 3 months ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆36Feb 11, 2026Updated last month
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆39Oct 4, 2023Updated 2 years ago