Blue Obelisk's repositories
chemicaltagger
ChemicalTagger is a tool for semantic text-mining in chemistry.
chemdraw-converter
Converts CDX and CDXML from and to CML
jumbo-converters
Converters for legacy to and from CML
blueobelisk.github.io
The website.
cmllite-validator-code
CML validation via xpath expressions
crystaleye
CIF crawler and database
euclid-testutil
Test utilities for the Euclid project.
jumbo-testutil
Test utilities for the JUMBO library.
jumbo-units
Manages units and physical quantities
oscar4-cli
A set of small programs to run bits of the OSCAR4 software.
osra-runner
A wrapper to call OSRA (Optical Structure Recognition Application) from Java.
reaction-cime
CIME4R: Exploring iterative, AI-guided chemical reaction optimization campaigns in their parameter space (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00840-1)
BSD-3-Clause000