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

MassBank-web

The web server application and directly connected components for a MassBank web server

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

ons-wikidata

Open Notebook for Wikidata scripts

scholia

Wikidata scholarly profiles

SLAW

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

smizip

An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings

wd-np-up-to-date

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

wd-taxon-names

A Short Survey of Wikidata’s Specific Epithets

metgem

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

my-presentations

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

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

surge

A Fast Chemical Graph Generator

targets

Function-oriented Make-like declarative workflows for R