iupac
Here are 28 public repositories matching this topic...
IUPAC SMILES+ Specification. Under development and it needs lots of improvements, so do not use it in practical
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Jun 5, 2024 - Jupyter Notebook
A tool to convert IUPAC representations of glycans into SMILES strings.
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Jun 5, 2024 - Python
A Knowledge Graph of Common Chemical Names to their Molecular Definition
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May 29, 2024 - Jupyter Notebook
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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May 23, 2024 - Python
Diffusion-based generative drug-like molecular editing with chemical natural language
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May 18, 2024 - Python
Conversion between IUPAC names and SMILES chemical structures using context free grammars.
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May 7, 2024 - Python
Algorithms for Bionformatics - Python Module to handle biological sequences and run common algorithms and techniques
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May 3, 2024 - Python
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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Apr 24, 2024 - C++
IUPAC-based large-scale molecular pre-trained model for property prediction and molecular generation
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Mar 17, 2024 - Python
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.
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Mar 6, 2024 - Python
Encoder-decoders for translating different chemical formats.
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Feb 15, 2024 - Python
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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Oct 21, 2023 - Python
File not found
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Sep 17, 2023 - Java
JCAMP-DX file converter for iOS
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Jun 12, 2023 - Swift
🧪 Naming non-cyclical alkanes using the official IUPAC nomenclature
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May 28, 2023 - Python
Translate nucleotides (DNA & RNA) to aminoacid using IUPAC ambiguity codes
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May 14, 2023 - C++
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