datalab-org / datalabLinks
datalab is a place to store experimental data and the connections between them.
☆74Updated last week
Alternatives and similar repositories for datalab
Users that are interested in datalab are comparing it to the libraries listed below
Sorting:
- AlabOS: Managing the workflows in the Autonomous lab☆46Updated 3 months ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆20Updated 11 months ago
- A universal file format for gas adsorption experiments☆21Updated last week
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆75Updated last week
- Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)☆97Updated last month
- DARA: Data-driven automated Rietveld analysis for powder XRD phase search and refinement☆28Updated this week
- ☆18Updated 2 years ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆12Updated 2 years ago
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆19Updated last year
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Updated 3 years ago
- ☆21Updated 5 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Updated 2 years ago
- Specification of a common REST API for access to materials databases☆98Updated last week
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated last year
- An ecosystem for digital reticular chemistry☆51Updated last year
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Updated 7 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
- Python package to interact with high-dimensional representations of the chemical elements☆46Updated last week
- ☆20Updated last year
- ☆39Updated 10 months ago
- Code for automated fitting of machine learned interatomic potentials.☆129Updated this week
- NOMAD lets you manage and share your materials science data in a way that makes it truly useful to you, your group, and the community.☆97Updated this week
- ☆19Updated 8 years ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆48Updated last week
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated 2 weeks ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆44Updated 2 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆59Updated last month
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆43Updated this week
- A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities☆88Updated 3 weeks ago