MADICES / MADICES-2022Links
This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.
☆13Updated 3 years ago
Alternatives and similar repositories for MADICES-2022
Users that are interested in MADICES-2022 are comparing it to the libraries listed below
Sorting:
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago
- A graph database tool for experimental data in materials science and chemistry.☆19Updated 8 months ago
- A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…☆14Updated last year
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated 10 months ago
- Chemical Methods Ontology☆15Updated last month
- The ELN custom schemas from synthesis experiments☆11Updated last month
- An ecosystem for digital reticular chemistry☆49Updated last year
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- An overview over chemical datasets and where to find them☆17Updated 2 years ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆17Updated 2 years ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated last year
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- Text mining synthesis information in metal organic framework☆13Updated 4 years ago
- Specification of a common REST API for access to materials databases☆94Updated 2 months ago
- DeepStruc is a Conditional Variational Autoencoder which can predict the mono-metallic nanoparticle from a Pair Distribution Function.☆26Updated last year
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Updated 2 years 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 last year
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- A dataset of Curie temperatures automatically extracted from scientific literature with the use of the BERT-PSIE pipeline☆15Updated 2 years ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Updated 3 weeks ago
- AlabOS: Managing the workflows in the Autonomous lab☆44Updated last month
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Updated 11 months ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆19Updated 9 months ago
- ☆26Updated 10 months ago
- The Element Movers Distance for chemical composition similarity☆35Updated 5 months ago
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆11Updated last week
- Chemical intuition for surface science in a package.☆39Updated 2 weeks ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Updated last year
- A software for automating materials science computations☆31Updated 3 months ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆25Updated 3 years ago