Search Results for "protein"
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Showing 508 open source projects for "protein"
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Protenix
A trainable PyTorch reproduction of AlphaFold 3
Protenix is an open-source, trainable PyTorch reimplementation of AlphaFold 3, developed by ByteDance with the goal of democratizing high-accuracy protein structure prediction for computational biology and drug-discovery research. Protenix provides a complete pipeline for turning protein sequences (with optional MSA / sequence alignment) or structural inputs (e.g. PDB/CIF) into full 3D atomic-level structure predictions. It supports both “full” models and lightweight variants such as “Protenix-Mini,” offering a trade-off between speed/compute cost and predictive accuracy — making structure prediction accessible even in resource-constrained environments. ... -
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BioNeMo
BioNeMo Framework: For building and adapting AI models
BioNeMo is an AI-powered framework developed by NVIDIA for protein and molecular generation using deep learning models. It provides researchers and developers with tools to design, analyze, and optimize biological molecules, aiding in drug discovery and synthetic biology applications. -
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BioEmu
Inference code for scalable emulation of protein equilibrium ensembles
Biomolecular Emulator (BioEmu for short) is a model that samples from the approximated equilibrium distribution of structures for a protein monomer, given its amino acid sequence. By default, unphysical structures (steric clashes or chain discontinuities) will be filtered out, so you will typically get fewer samples in the output than requested. The difference can be very large if your protein has large disordered regions, which are very likely to produce clashes. BioEmu outputs structures in backbone frame representation. ... -
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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... -
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Prokka
Rapid prokaryotic genome annotation
Prokka is a command-line software tool for rapid annotation of prokaryotic genomes (bacteria and archaea). Given a FASTA file of contigs, it predicts genes, rRNAs, tRNAs, and other functional elements, then assigns functions by comparing to reference protein databases and HMM profiles. It outputs GenBank, GFF, and other formats compatible with downstream tools and genome browsers. Prokka handles common complications—overlapping ORFs, frameshifts, alternate start codons—while providing customizable databases so researchers can bias domain or strain-specific annotations. The pipeline is optimized for speed, using multithreading and caching to annotate large microbial genomes in minutes. ... -
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iCn3D
Web-based protein structure viewer and analysis tool
"I see in 3D" (iCn3D) Structure Viewer is not only a web-based 3D viewer, but also a structure analysis tool interactively or in the batch mode using NodeJS scripts based on the npm package icn3d. iCn3D synchronizes the display of 3D structure, 2D interaction, and 1D sequences and annotations. Users' custom displays can be saved in a short URL or a PNG image. The complete package of iCn3D including Three.js and jQuery is in the directory "dist" after you get the source code with the "Code"... -
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Marin
Framework for research and development of foundation models
...Experiments and decisions are documented as they occur, including unsuccessful approaches. The framework is primarily used for large language models but has also supported audio-text, DNA, and protein modeling research. Experiments are expressed as dependent steps that execute in topological order, enabling reproducible training workflows. Marin also provides model checkpoints, training recipes, scaling research, documentation, and reusable infrastructure for large-scale experiments. -
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iem-configurator
Configurator for protein substitutes
This configurator helps you to calculate optimal dosage of protein substitutes. -
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PFAAT is a Java-based multiple sequence alignment editor and viewer designed for protein family analysis. You can download PFAAT from http://pfaat.sourceforge.net/
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comer2
COMER2, cross-platform software for protein remote homology search
The COMER method based on sequence profile-profile comparison is one of the most sensitive and accurate computational tools developed for protein alignment and homology search. COMER version 2.1 (COMER2) represents one of the fastest implementations of calculations for sensitive protein homology search. High COMER2 performance is achieved by harnessing the power of the Graphics processing unit (GPU). Hence, a GPU is expected to be installed on the system. The files include the compressed source code and associated and accompanying files for use with COMER2. ... -
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MzDOCK - Multiple Ligand Docking Tool
MzDOCK is A Virtual Screening Tool For Drug Discovery Research
- Molecular Docking Virtual Screening Tool To Aid In Drug Discovery Research. - Published in Wiley, Journal of Computational Chemistry . Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27390 - Developed with Synchronized functioning of Python and Batch scripts -Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK - Integrated with Molecule Drawing Tool - JSME Editor - If you are facing any issues or for queries . Contact us -... -
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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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CASMI
Critical Assessment of Small Molecule Identification
...The problem of identification of unknowns is the major challenge in metabolomics or nontarget screening in the environmental sciences. The contest is inspired by the CASP contest series, the crititcal assessment of protein structures, initiated in 1994. -
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MetRFinder
Detection of Heavy Metal Resistance Genes from Bacterial Proteomes
MetRFinder is a standalone GUI-based bioinformatics tool developed in Python for rapid identification of heavy metal resistance genes from bacterial proteomes. The software integrates DIAMOND BLASTP with BacMet Experimental and BacMet Predicted databases to enable high-throughput screening of protein FASTA files. Users can analyze single or multiple bacterial isolates through an intuitive graphical interface without requiring command-line expertise. MetRFinder automatically filters hits based on user-defined sequence identity thresholds and E-value criteria, assigns gene annotations, and generates detailed Excel reports along with summary statistics. ... -
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Here, we developed a topology-driven scaffold design model, EpiTopoFold, that systematically explores protein secondary-structure arrangements to identify optimal scaffolds for discontinuous epitope segments. Citation: Ma, Y.F., Yin, G.H., Pan, Y., and Liu, Y. (2026). Intelligent antigen design combined with yeast display enhances targeted immune responses. Briefings in Bioinformatics 27, bbag393.
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MDwizard
A GUI for Post Docking analysis, MD simulation and Residue Mapping
This GUI Software Allows Researchers to - Build PL complex and visualize Protein-Ligand Interaction(3D/2D) - SES surface and vdw radii to observe cavity - Sketch within Visualizer and Dock - Run MD simulation for Protein-Ligand System with CUDA or OpenCL - Visualize MD simulation, Save as MP4 and Analyze MD Plots like RMSD, RMSF and FEL etc. - Get Dynamic Interaction Occupancy and Energetics Per Frame to classify amino acid residues as anchors, transient, accessible and non hotspots... -
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APBSmem is a Java-based graphical user interface for Poisson-Boltzmann electrostatics calculations at the membrane. APBS version 1.2.0 or later is required.
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The Sashimi project hosts the Trans-Proteomic Pipeline (TPP), a mature suite of tools for mass-spec (MS, MS/MS) based proteomics: statistical validation, quantitation, visualization, and converters from raw MS data to the open mzML/mzXML formats.
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LibreCalories
Libre version of the many costly nutrition and calorie counting apps.
LibreCalories is a libre version of the many costly nutrition and calorie counting apps out there. While still in its early stages, LibreCalories is a step forward towards making nutritional knowledge freely accessible, and giving all an opportunity to engage in a healthier lifestyle. To access the source code you'll have to click the "Source Code" folder in the files page. For more information, head on over to the project's website: https://templisoft.neocities.org/ -
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OligoYap Portable
Oligo design and bioinformatic analysis software.
OligoYap can be used to design classical PCR, SYBR Green, TaqMan, MGB, Molecular Beacons, Microarray and Real-Time PCR primers/probes and for bioinformatics analysis. It has the features of enzyme cut analysis, mutation analysis, DNA/protein match and BLAST. You can easily record laboratory materials/files, prepare PCR mix and many other laboratory operations. It works on windows8.1 and earlier operating systems, but has not been tried on windows10 and later. For better images, you can right-click the exe file and check the features/compatibility "Disable screen scaling in high DPI settings" box. ... -
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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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Gel Blot Analyzer is a comprehensive desktop application designed to streamline the annotation, analysis, and presentation of gel electrophoresis images. Built for researchers, students, and scientists, this tool simplifies the often tedious process of preparing gel images (SDS-PAGE, Western Blots, DNA gels, etc.) for lab notebooks, presentations, and publications. From precise labeling and molecular weight prediction to powerful densitometric analysis, Gel Blot Analyzer combines...
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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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XLibraryDisplay
A sequence analysis tool for protein engineering
XLibraryDisplay is an intuitive sequence analysis program optimized for protein engineering. It is ideal for all directed evolution platforms including phage, ribosome, and yeast display. Analysis can be quickly done on hundreds to thousands of sequences. Best suited for Sanger sequencing. Requirements: Microsoft Windows XP, 7, 8, or 10 and Excel 2007, 2010, 2013, or 2016 Described in Stafford et al JCIM 2014: http://pubs.acs.org/doi/abs/10.1021/ci500362s -
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Make-A-Video - Pytorch (wip)
Implementation of Make-A-Video, new SOTA text to video generator
...They combine pseudo-3d convolutions (axial convolutions) and temporal attention and show much better temporal fusion. The pseudo-3d convolutions isn't a new concept. It has been explored before in other contexts, say for protein contact prediction as "dimensional hybrid residual networks". The gist of the paper comes down to, take a SOTA text-to-image model (here they use DALL-E2, but the same learning points would easily apply to Imagen), make a few minor modifications for attention across time and other ways to skimp on the compute cost, do frame interpolation correctly, get a great video model out. ...
