iupac
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A Knowledge Graph of Common Chemical Names to their Molecular Definition
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Jan 24, 2025 - Jupyter Notebook
IUPAC SMILES+ Specification
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Dec 12, 2023 - Jupyter Notebook
Transformer-based molecular generative model for antiviral drug design
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Nov 20, 2024 - Python
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.
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Mar 4, 2025 - Python
Diffusion-based generative drug-like molecular editing with chemical natural language
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Dec 22, 2024 - Python
A tool to convert IUPAC representations of glycans into SMILES strings.
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Feb 22, 2025 - Python
Blue Obelisk Data Repository - your one stop place of element and isotope data.
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Nov 18, 2022 - XSLT
Encoder-decoders for translating different chemical formats.
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Feb 15, 2024 - Python
IUPAC-based large-scale molecular pre-trained model for property prediction and molecular generation
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Aug 12, 2024 - Jupyter Notebook
MSA2dist calculates pairwise distances between all sequences of a DNAStringSet or a AAStringSet using a custom score matrix and conducts codon based analysis
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Mar 28, 2025 - C++
Translate nucleotides (DNA & RNA) to aminoacid using IUPAC ambiguity codes
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May 14, 2023 - C++
Algorithms for Bionformatics - Python Module to handle biological sequences and run common algorithms and techniques
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May 3, 2024 - Python
Biostrings port in Java (for study)
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Jan 6, 2018 - Java
pattern matching with error for small pattern size (<= 64) for DNA and IUPAC
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Oct 7, 2020 - Python
Collapse a set of redundant kmers to use IUPAC degenerate bases
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Nov 26, 2021 - Python
🧪 Naming non-cyclical alkanes using the official IUPAC nomenclature
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May 28, 2023 - Python
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Nov 11, 2024 - Python
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