Adafede

cascade

thesis-manuscript

Adafede

adafede.github.io

https://adafede.github.io/

bioregistry

📮 An integrative registry of biological databases, ontologies, and nomenclatures.

catalog

Made with Manubot catalog (please add your manuscript!!)

cdk-cxsmiles

Dagstuhl CXSMILES

ChEMBL_Structure_Pipeline

ChEMBL database structure pipelines

CompoundDb

Creating and using (chemical) compound databases

docs.sirius.github.io

lotus-wikidata-interact

matchms

Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.

mist

Encoding MS/MS spectra using formula transformers for inferring molecular properties

MsBackendMgf

Mass Spectrometry Data Backend for Mascot Generic Format (mgf) Files

mzmine

MZmine 3 source code repository

mzmine_documentation

mzmine_documentation

NP-Classifier

ons-wikidata

Open Notebook for Wikidata scripts

scholia

Wikidata scholarly profiles

SLAW

Scalable and self-optimizing processing workflow for untargeted LC-MS

wd-np-up-to-date

A small service to get up-to-date compounds found in taxon lists

.github

Information on the MITE standard repository

cascade.r-universe.dev

https://github.com/r-universe/cascade

konnector

A Kotlin(JVM) connector for GNFinder (gRPC), PubMed and CrossREF.

metgem

Calculation and visualization of molecular networks based on t-SNE algorithm

my-queries

https://adafede.github.io/my-queries/

rdeditor

Simple RDKit molecule editor GUI using PySide

smartclass

Repository about chemicals, chemical classes, their relations, and wikidata

sparql-examples-utils

A tool to maintain and test your SPARQL examples

targets

Function-oriented Make-like declarative workflows for R