Python code for carrying out automatic VTNA. Released as a Python Package, as well as a GUI executable that can be downloaded for free.

The IUPAC WorldFAIR Cookbook for FAIR chemical data

⚗ A package useful for chemistry written in Python

Google's Moma Badges for GitHub

Main InChI repository

Repository of the IUPAC - RInChI group

Basic latex template for research or business whitepapers and discussion docs

Experimental design and (multi-objective) bayesian optimization.

Electronic Lab Notebook

Universal cheminformatics toolkit, utilities and database search tools

Chemical kinetics, thermodynamics, and transport tool suite

Official data repository for the Open Reaction Database

Indigo - The Open-Source Chemistry Electronic Lab Notebook

AI4Green is an Electronic Laboratory Notebook which combines data storage and sharing while promoting green and sustainable chemistry.

Web-based molecule sketcher

Real-time parallel progress analysis of organic reactions using near-infrared spectroscopy and semi-non-negative matrix factorization

Automated analysis of LCMS data for high throughput chemistry experiments

The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental information about compound synthesis and their testing.

Search/browse interface and APIs for the Open Reaction Database

Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)

Schema for the Open Reaction Database