A Knowledge Graph of Common Chemical Names to their Molecular Definition
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Updated
May 29, 2024 - Jupyter Notebook
A Knowledge Graph of Common Chemical Names to their Molecular Definition
IUPAC SMILES+ Specification
Transformer-based molecular generative model for antiviral drug design
Blue Obelisk Data Repository - your one stop place of element and isotope data.
A tool to convert IUPAC representations of glycans into SMILES strings.
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.
IUPAC-based large-scale molecular pre-trained model for property prediction and molecular generation
Encoder-decoders for translating different chemical formats.
Diffusion-based generative drug-like molecular editing with chemical natural language
MSA2dist calculates pairwise distances between all sequences of a DNAStringSet or a AAStringSet using a custom score matrix and conducts codon based analysis
Translate nucleotides (DNA & RNA) to aminoacid using IUPAC ambiguity codes
Algorithms for Bionformatics - Python Module to handle biological sequences and run common algorithms and techniques
Biostrings port in Java (for study)
pattern matching with error for small pattern size (<= 64) for DNA and IUPAC
Collapse a set of redundant kmers to use IUPAC degenerate bases
🧪 Naming non-cyclical alkanes using the official IUPAC nomenclature
Different prototypes for detecting chemical graph presentation of the molecules into computer-readable format from image, IUPAC name
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