Search Results for "optimization"
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Showing 26 open source projects for "optimization"
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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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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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Conscious Artificial Intelligence
It's possible for machines to become self-aware.
...At the time the agent is born, it doesn't know how to walk nor it knows that it feels pleasure by mining. He has tact only (blind agent). The video shows learning, planning, executing and plan optimization. -
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prediction_of_ic50
prediction of ic50 for different cancer cell lines
We have developed the web server for prediction of ic50 for different cancer cell lines, such as for lung cancer A549 cell lines, for colorectal cancer HCT116 cell lines, for blood cancer K562 cell lines. This helps the user to predict the ic50 value, lower the ic50 value indicate the more potency of compound. This information might help in lead optimization, virtual screening, etc. -
Stop Storing Third-Party Tokens in Your DatabaseRolling your own OAuth token storage can be a security liability. Token Vault securely stores access and refresh tokens from federated providers and handles exchange and renewal automatically. Connected accounts, refresh exchange, and privileged worker flows included.
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Peptide Vaccine Analysis Tool (PVAT) is an optimization software that predicts the best possible peptide stretches in a given protein sequence based on two factors: 1. the surface exposure of the peptide stretches, and 2. their susceptibility to mutation.
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Microarray assosiated motif analyzer
Cis-element prediction tool from microarray data
...Simulation of gene expression was performed using a support vector machine and based on the presence of predicted motifs and motif pairs. The accuracy of simulated gene expression was used to evaluate the quality of prediction and to optimize the parameters used in this method. After optimization, MAMA accurately simulated more than 87% of gene expression. See Kakei Y, Ogo Y, Itai RN, et al. (2013) Development of a novel prediction method of cis-elements to hypothesize collaborative functions of cis-element pairs in iron-deficient. Rice 6(1): 22. -
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PBTK Optimizer
Application for optimization of parameters in PBTK models
...When it is impractical to use these methods to estimate a parameter, techniques can be used to optimize parameters so that model results best fit validation data. This tool was designed to optimize a user-specified list of parameters to a user-specified PBTK model. The user also controls validation data and optimization algorithms. In addition to optimized parameters, the tool outputs statistical information about the fit of the optimized model. -
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DACO-algorithm
A novel transcription factor complex prediction algorithm.
...Complexation of transcription factors and other regulatory proteins is a prevailing and highly conserved mechanism of signal integration within critical regulatory pathways and enable to infer controlled genes as well as the exerted regulatory mechanism. We developed DACO (domain-aware cohesiveness optimization), a novel algorithm that combines protein-protein interaction networks and domain-domain interaction networks with the cluster-quality metric cohesiveness. The metric is locally maximized on the holistic level of protein interactions while sophisticated connectivity constraints on the domain level are utilized to account for the exclusive and thus inherently combinatorial nature of the interactions within such assemblies. ... -
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Root Phenotyping Suite
Three different software tools for phenotyping plant root images
...The software provides a robust, efficient and accurate means of phenotyping of roots, by detecting individual root tips and classifying them as belonging to a primary or lateral root. RootGraph is a novel, fully automated and robust approach for the detailed characterization of root traits, based on a graph optimization process. The scheme, firstly, distinguishes primary roots from lateral roots and, secondly, quantifies a broad spectrum of root traits. -
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PF_HP
Prediction of proteinfolding in 2D HP model
...Spende einen Cappuccino: Bitcoin: 1HqrdnfQgi9B4LW8UEvLAwh7X5gXPCoQ5B Litecoin: Lbo2jxD85ymyq5167r7yFVZkEr73F2h44B Paypal: paypal.me/GerritLeder Credits ====== Principle Investigator -------------------------- Gerrit Leder: protein folding algorithm design and testing, and initial implementation in Eiffel. Eiffel Consultant --------------------- Finnian Reilly: Eiffel code optimization and parallel processing adaptation. www.hex11software.com finnian at eiffel hyphen loop dot com -
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OptFlux is an open-source and modular software aimed at being the reference computational application in the field. It is the first tool to incorporate strain optimization tasks, i.e., the identification of Metabolic Engineering targets.
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QSdpR
Viral Quasispecies Reconstruction software based on QSdpR algorithm
This is a viral quasispecies reconstruction software for quasispecies assembly problem on mRNA viruses, which is based on a correlation clustering approach and uses semidefinite optimization framework. The software accepts a reference genome, a NGS read set aligned to this reference and set of SNP locations in the form of a vcf file and outputs an optimal set of reconstructed species genomes which describes the underlying viral population. -
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ProtPOS
Prediction of PROTtein Preferred Orientation on a Surface
...It searches quickly for the low energy protein poses in all translational and rotational degrees of freedom of the protein with respect to the surface using particle swarm optimization. Each successful run returns the lowest energy orientation of the protein on the surface in PDB format, which is readily used for MD simulations. ProtPOS is implemented in Python, making use of the PyMOL library for generating protein conformations and calling GROMACS externally to calculate protein-surface interaction energies. ... -
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GeneticAlgorithms
Framework for using the Genetic Algorithms optimization heuristic.
GeneticAlgorithms is a simple and lightweight framework to implement an optimization heuristic following the Genetic Algorithms model. A genetic algorithm mimics the natural processes of evolution, selection and "survival of the fittest". This framework is intuitive and good integrated with Java 1.5 SDK and later. -
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This is a sophisticated & integrated simulation and analysis environment for dynamical systems models of physical systems (ODEs, DAEs, maps, and hybrid systems). It supports symbolic math, optimization, continuation, data analysis, biological apps...
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An implementation of the Kernel-based Orthogonal Projections to Latent Structures (K-OPLS) method for MATLAB and R. The supplied functionality includes e.g. cross-validation, kernel parameter optimization, model diagnostics and plot tools.
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Deem
Analyze time-course data with significance tests, clustering, modeling
...Apply significance tests to filter out only significant genes or time series. Cluster time series into similar groups. Generate network models, including linear or non-linear models. Variable selection and optimization routines included. Written in Scala and R. The application is a cross-platform desktop app with a simple GUI and is fully functional currently. The app was and is developed at the University of Rochester (http://cbim.urmc.rochester.edu) under the GPL 3.0 license. This is a fork of that project. -
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metaopt
Optimization toolbox for analyzing metabolic networks
Metaopt contains direct C++ implementations of metabolic analysis methods based on flux optimization. It is mainly developed to solve thermodynamically constrained FBA and FVA (tFVA) efficiently. -
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denovo_solid_pipeline
Pipeline for small genome assembly using SOLiD sequencing technology
denovo_solid_pipeline (DSP) is a semi automated pipeline for short genome assembly using SOLiD sequencing data. The main features of the pipeline are the optimization of the number of read-correction runs and computational resources via dynamic programming. DSP also has the advantage over the currently available pipeline (denovo2) of generating more contigs suitable for further assembly steps, increasing the chances of detecting sequencing errors and/or polymorphic sites. -
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CUO
Codon Usage Optimizer
...The main function of the software at the current development stage is to optimize genes to be transformed into the Chlamydomonas reinhardtii chloroplast genome although it can be used to optimize genes into other hosts as well. The main tool in CUO, Moptimizer, introduces a semi-automatic way of gene optimization which provides more flexibility and accuracy during the optimization process. The future plan for CUO is to be developed into a multipurpose bioinformatics software where data, findings, planning and learning in biology labs can be created and shared at finger tips. -
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OptimizeSNP
Selects SNPs and samples with known genotypes for microarray design
Program apply linear programming to minimize the number of microarrays and hybridization experiments that need to be undertaken in order to cover most of the predicted expressed SNPs.Dependencies:. 1) mampl.exe must be in system PATH 2) CPLEX 12.2 must be installed. cplexamp.exe must be in system PATH mampl.exe can be obtained from any program containing AMPL. I obtained AMPL from trial version of MOSEK at http://www.mosek.com/. CPLEX 12.0 can be obtained from http://www-01.ibm.com/software/integration/optimization/cplex-optimizer/. A free acadamic license can be obtained by filling out IBM academic initiative application. -
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We here present a novel computer algorithm, called AutoClickChem, capable of performing many click-chemistry reactions in silico. In silico modeling of click-chemistry products may prove useful in rational drug design and drug optimization.
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Metaboflux is a generic approach for predicting flux distribution in metabolic networks under multiple and various constraints deducted from the experiments, to increase the biological relevance of the model.
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ProteinShop is an interactive protein manipulation tool. Users apply their knowledge and intuition to quickly create a set of protein configurations that can be subjected to local or global optimization. More information at http://proteinshop.org
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NeuroBees
Multi-agent algorithm
Software tool (NEURON, Python, C++) based on the multi-agent Bee algorithm and aiming at multi-parametric optimization. 2 versions : - Link with NEURON (need download and install NEURON and NEURON-python) - Autonomous, with two types of neurones (Izhikevich and hodgkin huxley)
