Search Results for "proteins"
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Showing 175 open source projects for "proteins"
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AlphaFold 3
AlphaFold 3 inference pipeline
...This repository provides the complete inference pipeline for running AlphaFold 3, though access to the model parameters is restricted and must be obtained directly from Google under specific terms of use. The system is designed for scientific research applications in structural biology, biochemistry, and bioinformatics, enabling accurate modeling of proteins, ligands, and covalent modifications. Users can perform local predictions via Docker containers, integrating AlphaFold 3’s inference process with provided JSON input configurations. The software includes flexible options for running both data preprocessing and GPU-accelerated inference, allowing users to adapt to available computational resources. -
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GROMACS
Public/backup repository of the GROMACS molecular simulation toolkit
GROMACS is a molecular simulation toolkit focused on high-performance molecular dynamics. It is widely used for biomolecular systems such as proteins, lipids, nucleic acids, solvents, and ligand interactions. The software is optimized for speed and supports modern CPU and GPU acceleration for large and demanding simulations. It includes tools for system preparation, running simulations, trajectory processing, analysis, and workflow automation. GROMACS is especially strong in computational biophysics and chemistry, but it can also be used for broader molecular modeling tasks. ... -
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wger
Self hosted FLOSS fitness/workout, nutrition and weight tracker
...Create your personal diet plan by creating as many meals with as many different ingredients as you need. The application will calculate the nutritional values (total energy, proteins, carbohydrates, etc.) of the entire plan and of each of the meals. Enter the weights and reps you've done for each exercise to generate diagrams that let you see at a glance how well you're doing. Of course, the raw numbers are still accessible. -
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NifFINDER
A preditor of Nif proteins
Tool developed in MATLAB to identify the set of proteins encoded by the nifs genes (which are called Nifs). Niffinder identifies up to 24 Nifs - For each Nif protein an Artificial Neural Network (ANN) was built. -
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DeeProtGO_MF
Gamerino DeeProtGO model, trained to predict Molecular Function (MF)
Gamerino DeeProtGO model, trained to predict Molecular Function (MF) of proteins using the CAFA3 training dataset. -
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Foci quantitation
ImageJ script to characterise fluorescent foci.
This set of tools to allow high-throughput quantitation of foci fluorescence levels. The script was designed to work with 3D images of tagged kinetochore proteins in yeast. -
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FSGSproteomics
Protepmics of Kidney biopsy tissues
...Methods: A total of 73 kidney biopsy tissues were analyzed by LC-MS/MS: FSGS (n=23), renal donors (n=14) as a healthy control group, and minimal change disease (n=15) and IgA nephropathy (n=21) as disease control groups. We validated the proteome data with immunohistochemistry and the Nephroseq microarray data. Results: Our proteomics platform identified a total of 4,168 proteins. A comparison between the FSGS with renal donor groups revealed 175 proteins increased -
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relax
Molecular dynamics by NMR data analysis
The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, the investigation of stereochemistry in dynamic ensembles, and the analysis of relaxation dispersion data. -
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MCE - Marching Cube ELD
Crystallographic software for displaying voxel maps - electron density
MCE is an crystallographic experimental program for 3D and 2D electron density map visualization. The software is mainly focused on visualization of ELD calculated from X-ray diffraction data of small molecules, but it will work for small proteins as well. Download the installation file (default download) or find in "Files" the zip-file with instant copy of the program which does not require the installation. -
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UniversalMer2
A CLI k-mer counting tool for multiple size of k at once.
UniversalMer is a k-mer counting tool for multiple size of k at once. It is available for DNA, RNA, and protein sequences. The program counts and summarizes the exact frequency of all k-mers from 1-mer to a user-defined maximum length (kmax). This kmax can be specified as any length or can be automatically determined by the longest repeated patterns found in the input sequence. -
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UniversalMer
A CLI k-mer counting tool for multiple sizes of k at once.
UniversalMer is a k-mer counting tool for multiple size of k at once. It is available for DNA, RNA, and protein sequences. The program counts and summarizes the exact frequency of all k-mers from 1-mer to a user-defined maximum length (kmax). Analyzing the k-mer spectrum across multiple values of k can be done in seconds. This program is designed for bioinformatics researchers and scientists. -
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PANDA
A comprehensive and flexible quantification tool for proteomics data
...First, we implement the advantage algorithms of LFQuant (Proteomics 2012, 12, (23-24), 3475-84) and SILVER (Bioinformatics 2014, 30, (4), 586-7) into PANDA. Second, we consider the state-of-art concept of quantification reliability in this quantitative workflow. On the levels of spectra, peptides and proteins, PANDA works out a few quantitative filters and new scores for quantification confidence. Third, PANDA is designed for processing proteomics big data in parallel. -
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com-hfg
java library for XML, HTML, or SVG generation + bioinformatics classes
The com.hfg (hairyfatguy.com) library is a collection of utility classes that make it easy to construct XML, HTML, XHTML, or SVG in an object-oriented way from within your Java application or webapp. It also contains other IO utilities and bioinformatics classes for phylogenetic trees, taxonomy, and multi-chain proteins. Requires JDK1.8. -
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Please, do not hesitate to contact us if you need help. https://sites.google.com/view/hsa23/ Short linear motifs / domains (SLiM) facilitate the functions and interactions of the proteins. Finding functional motifs in protein sequences could predict the putative cellular roles or characteristics of hypothetical proteins. ShettiMotif, which is an interactive tool to (i) searches for motifs containing repeated residues (e.g. Leu-, SR-, PEST-rich motifs, etc.), (ii) searches for multiple pre-defined consensus patterns or experimentally validated functional motifs in large datasets protein sequences (proteome-wide), (iii) map UniProt and PROSITE flat files. ...
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rafah
Random Forest Assignment of Hosts
...Our rationale was that the machine could learn the associations between genes and hosts much more efficiently than a human, while also using the information contained in the hypothetical proteins. Random forest models were built using the Ranger package in R. -
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DeeProtGO
DeeProtGO is a deep learning model for predicting GO terms of proteins
This project contains the source code of DeeProtGO as well as an example of its use when predicting GO terms of the biological process sub-ontology for eukaryotic proteins. -
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SysBioTK
A protein database management toolkit
SysBioTK is a framework which aims to aid in the management of information on proteins from several databases, storing the information in a library. Several search functions are also included in order to filter the proteins in the library. Support for different screenings, such as control groups, is also included. The tool also allows to extract the GeneOntology of the protein/gene list and is able to perform several statiscal tests on the data. -
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MS-Helios
MS-Helios: A Circos wrapper to visualize multi-omic datasets
Advances in high-resolution mass spectrometry facilitate the identification of hundreds of metabolites, thousands of proteins and their post-translational modifications. This remarkable progress poses a challenge to data analysis and visualization, requiring methods to reduce dimensionality and represent the data in a compact way. To provide a more holistic view, we recently introduced circular proteome maps (CPMs). However, the CPM construction requires prior data transformation and extensive knowledge of the Perl-based tool, Circos. ... -
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DisPC – a large scale disorder prediction and analysis tool which is a meta-predictor in one hand and also performs a proteome wide analysis of function, binding region prediction and evolutionary conservation analysis of the intrinsically disordered proteins (IDPs). DisPC is tested in several bacterial and fungal genomes for detailed genome wide analysis of IDPs. This pipeline can be used for large scale identification and characterization of IDPs in different domains of life.
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TaxOnTree
A program for associating taxonomic information in a phylogenetic tree
TaxOnTree is a phylogenetic program for associating Taxonomic information in a phylogenetic tree. The output is a NEX format tree file configured to be opened in FigTree, that users can promptly color by any taxa or by the ancestrality shared by sequences with query. Input can be a Fasta formatted file to be used in a BLAST search or a list of sequences represented by their identifiers (UniProtAC or NCBI gi), if a cluster is already available. Also, a newick file produced with user software... -
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NOVA
Analysis and visualization of complexome profiling data.
...Several hierarchical clustering algorithms (e.g., single linkage, average linkage, Wards linkage), different distance measures (e.g., Euclidean distance, Manhattan distance, Pearson distance), and various normalization techniques are implemented. Many additional functions like zooming, searching for proteins, image export, and automatic file format recognition support intuitive handling for biologists. Giese, et al. NOVA: a software to analyze complexome profiling data. Bioinformatics, 2015, 31(3): 440-441 -
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TI2BioP allows mainly the calculation of topological indices (spectral moments) derived from inferred and artificial 2D structures of DNA, RNA and proteins being possible to carry out a structure-function correlation irrespective of sequence alignments. TI2BioP version 3.0 is a python platform with a graphical interface designed for Windows, Linux and Mac OS.
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SAMFF
A Refined Empirical Force Field to Model Protein-SAM Interactions
Understanding protein interaction with material surfaces is important for the development of nanotechnological devices. The structures and dynamics of proteins can be studied via molecular dynamics (MD) if the protein-surface interactions can be accurately modeled. Based on AMBER14 and GAFF, we systematically tuned the Lennard-Jones parameters of selected amino acid sidechains and the functional group of SAM with repeated metadynamics and umbrella sampling simulations. The final parameter set has yielded a significant improvement in the free energy values with R = 0.83 and MSE = 0.65 kcal/mol. ... -
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esPOS
A predictor to identify essential protein from PPI network
Predicting essential proteins from protein-protein interactions using order statistics
