denovo

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topazape / LSTM_Chem

Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.

machine-learning cheminformatics keras python3 lstm rnn chemoinformatics denovo tensorflow2

Updated Apr 6, 2022
Jupyter Notebook

This is the codebase for Recycler, described in our manuscript: https://academic.oup.com/bioinformatics/article/33/4/475/2623362, by Roye Rozov, Aya Brown Kav, David Bogumil, Naama Shterzer, Eran Halperin, Itzhak Mizrahi, and Ron Shamir

assembly recycler assembly-graph plasmid metagenomes denovo circular-sequences

Updated Apr 22, 2021
Python

alexarnimueller / LSTM_peptides

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Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.

machine-learning lstm rnn denovo peptide-sequences

Updated Feb 9, 2022
Python

boecker-lab / sirius-libs

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sirius-libs - Metabolomics mass spectrometry framework for molecular formula identification of small molecules written in Java

bioinformatics cheminformatics scientific-computing java-library metabolomics mass-spectrometry ms-data denovo molecular-formulas ms-spectra

Updated Mar 21, 2022
Java

sarisabban / RamaNet

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Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure

machine-learning topology neural-network hpc pdb protein-structure dataset ab-initio amino-acids denovo protein-design rmsd denovo-design

Updated Jan 3, 2022
Python

nf-core / bacass

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Simple bacterial assembly and annotation pipeline

workflow nanopore pipeline nextflow assembly denovo genome-assembly denovo-assembly bacterial-genomes nanopore-sequencing nf-core hybrid-assembly

Updated Mar 24, 2022
Nextflow

topazape / molecular-VAE

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Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules

machine-learning cheminformatics python3 pytorch vae chemoinformatics denovo

Updated Mar 29, 2021
Python

boecker-lab / sirius

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SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)