TRI-AMDD / CAMDLinks
Agent-based sequential learning software for materials discovery
☆63Updated last year
Alternatives and similar repositories for CAMD
Users that are interested in CAMD are comparing it to the libraries listed below
Sorting:
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- General purpose tools for high-throughput catalysis☆98Updated 6 months ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆116Updated last year
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆75Updated this week
- A Python library and command line interface for automated free energy calculations☆86Updated last week
- Automatic generation of crystal structure descriptions.☆125Updated last week
- New version of dft-book for Quantum Espresso☆46Updated 5 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated last month
- Specification of a common REST API for access to materials databases☆98Updated 3 weeks ago
- ☆73Updated 4 years ago
- tools for machine learning in condensed matter physics and quantum chemistry☆33Updated 3 years ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆55Updated last month
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Updated 2 years ago
- ase interface for Quantum Espresso☆22Updated 4 years ago
- Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.☆30Updated 4 years ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆45Updated last year
- ☆44Updated 2 months ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆37Updated 2 years ago
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆29Updated 5 years ago
- PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches☆65Updated 7 years ago
- Python Materials Discovery Framework☆75Updated last year
- Python package to aid materials design and informatics☆128Updated last week
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆105Updated this week
- Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.☆45Updated 6 years ago
- ASE density-functional tight-binding calculator☆68Updated 10 months ago
- Be a master builder of databases of material properties. Avoid the Kragle.☆63Updated this week
- Code for automated fitting of machine learned interatomic potentials.☆132Updated this week
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆155Updated 3 weeks ago
- ☆42Updated last week