iupac
There are 27 repositories under iupac topic.
Global-Chem/global-chem
A Knowledge Graph of Common Chemical Names to their Molecular Definition
IUPAC/IUPAC_SMILES_plus
IUPAC SMILES+ Specification
AspirinCode/TransAntivirus
Transformer-based molecular generative model for antiviral drug design
harshil21/carbonpy
An Organic Chemistry module
BlueObelisk/bodr
Blue Obelisk Data Repository - your one stop place of element and isotope data.
kalininalab/GlyLES
A tool to convert IUPAC representations of glycans into SMILES strings.
Jumitti/TFinder
Python script to quickly extract promoter and terminator regions with the NCBI API. Search for the presence of individual pattern or transcription factor responsive elements with manual sequence (IUPAC) or JASPAR API.
AspirinCode/iupacGPT
IUPAC-based large-scale molecular pre-trained model for property prediction and molecular generation
AspirinCode/DiffIUPAC
Diffusion-based generative drug-like molecular editing with chemical natural language
Knowledgator/chemical-converters
Encoder-decoders for translating different chemical formats.
plasmid-designer/libplasmid
Rust Genetic Engineering Kit
kullrich/MSA2dist
MSA2dist calculates pairwise distances between all sequences of a DNAStringSet or a AAStringSet using a custom score matrix and conducts codon based analysis
merkys/ChemOnomatopist
Give molecule a name
msramalho/fcup-abi
Algorithms for Bionformatics - Python Module to handle biological sequences and run common algorithms and techniques
unode/fna2faa
Translate nucleotides (DNA & RNA) to aminoacid using IUPAC ambiguity codes
alexpreynolds/kmer-collapse
Collapse a set of redundant kmers to use IUPAC degenerate bases
bastcazaux/search_myers_IUPAC
pattern matching with error for small pattern size (<= 64) for DNA and IUPAC
kinow/java-biostrings
Biostrings port in Java (for study)
Emrio/alkanes
🧪 Naming non-cyclical alkanes using the official IUPAC nomenclature
chris-cozy/iupac-definition-extractor
This Python program serves to extract definitions from the IUPAC key-value store by searching through a JSON file based on user-defined terms. Utilizing Pandas, it generates a table and exports the retrieved definitions into a downloadable CSV format. This tool facilitates easy access to IUPAC scientific terminology.
jkeys-ecg-nmsu/bioinformatics-scripts
A collection of bioinformatics and data mining scripts
katharinewhite/IUPAC_nucleotide_codes
A simple HTML page with Javascript to determine all possible sequences represented by IUPAC nucleotide codes
MysterionRise/molecule-detection
Different prototypes for detecting chemical graph presentation of the molecules into computer-readable format from image, IUPAC name
baolanlequang/jcamp-converter-ios
JCAMP-DX file converter for iOS
BrittleFoot/buftinom
Conversion between IUPAC names and SMILES chemical structures using context free grammars.
KayserSoze42/oxygen3
File not found
manufac-analytics/inchi
InChI for NodeJS/TypeScript