IUPAC / IUPAC-FAIRSpecLinks
IUPAC Project 2019-031-1-024 FAIR Spectroscopy Data Specification
☆12Updated 3 weeks ago
Alternatives and similar repositories for IUPAC-FAIRSpec
Users that are interested in IUPAC-FAIRSpec are comparing it to the libraries listed below
Sorting:
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Updated 3 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Updated 5 years ago
- Data for Coordination Complexes for the InChI Identifier☆12Updated 4 years ago
- ☆27Updated last year
- A graph database tool for experimental data in materials science and chemistry.☆19Updated 11 months ago
- Program package for the quantum mechanical calculation of EI mass spectra using automated reaction network exploration☆21Updated 3 months ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Updated last year
- An overview over chemical datasets and where to find them☆17Updated 2 years ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Updated last year
- Chemical Methods Ontology☆15Updated 2 months ago
- An open-source effort towards accessible polymer data☆41Updated 5 years ago
- An ecosystem for digital reticular chemistry☆52Updated last year
- Implementation of various machine learning representations for molecules☆25Updated 3 years ago
- Python-based library for working with computational chemistry files☆21Updated 2 months ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated last year
- DeepStruc is a Conditional Variational Autoencoder which can predict the mono-metallic nanoparticle from a Pair Distribution Function.☆26Updated 2 years ago
- Encoding chemistry to interpret crystallographic data☆27Updated this week
- A dataset of Curie temperatures automatically extracted from scientific literature with the use of the BERT-PSIE pipeline☆15Updated 2 years ago
- Molecular Visualization powered by Plotly☆18Updated 3 years ago
- A molecular identifier and descriptor for all domains of chemistry.☆25Updated last week
- A framework for using topological data analysis to extract structure/symmetry from scientific systems.☆25Updated 3 years ago
- ☆21Updated 2 months ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Updated 4 months ago
- ☆25Updated 2 years ago
- open data sets for machine learning pertaining to porous materials☆27Updated 2 years ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆32Updated last year
- A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…☆14Updated last month
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆17Updated 2 years ago
- Text mining synthesis information in metal organic framework☆13Updated 4 years ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆56Updated last week