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MzDOCK is A Virtual Screening Tool For 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 - kabeermuzammil614@gmail.com
MzDOCK Development
- Available on WindowsOS and Linux ubuntu 22.04 and more
- Software Authorship - Muzammil Kabier
Stochastic simulator for signaling pathways occuring in biological cells. Handles reaction-diffusion processes in 3D tetrahedral meshes.
Please check our new repository: https://github.com/CNS-OIST/STEPS
LOOS is a light-weight object oriented software library for creating new tools for analyzing molecular simulation data, written in C++. The main design goal is to allow casual programmers to easily implement new analysis methods.
THIS PAGE IS NO LONGER UPDATED. Please see
https://github.com/GrossfieldLab/loos
for all recent developments
Landlords, multi-family homes, manufactured home communities, single family homes, associations, commercial properties and mixed portfolios.
Rent Manager is award-winning property management software built for residential, commercial, and short-term-stay portfolios of any size. The program’s fully customizable features include a double-entry accounting system, maintenance management/scheduling, marketing integration, mobile applications, more than 450 insightful reports, and an API that integrates with the best PropTech providers on the market.
Biskit is a python library for structural bioinformatics research. It simplifies the analysis of macromolecular structures, protein complexes, and molecular dynamics trajectories and offers a platform for the rapid integration of external programs.
PLEASE NOTE: The Biskit source code as well as any later releases are now hosted on https://github.com/graik/biskit
The sourceforge repo is only kept here for reference.
A toolkit in C++ and python to process both experimental and simulation data of colloidal particles. Includes among others
* a multiscale particle tracking algorithm [1] whose C++ implementation is optimised for 3D confocal data. Python implementation is more versatile (2D and 3D data).
* a Leica file reader,
* Steindhard bond orientational order calculation
* a VTK file writer
1. Leocmach, M. & Tanaka, H. A novel particle tracking method with individual particle size measurement...
**(9 march 2016) this project is continued on github : http://jaapkroe.github.io/polypy **
Python script to analyze (shortest-path) rings in structures read from xyz-files. It can be useful for example to identify defects in crystal structures or molecules.
Software for data analysis, image processing, simulations, solver.
Collection of utilities based on two basics classes: Matematica and VarData.
Matematica) performs math operations on vectors and matrices for smoothing, interpolation, convolution, image processing...
VarData) manipulate a structure of points connected by links.
Addraw) openGL engine.
ElPoly) analyze mechanical properties of polymer and membrane like structures.
Addyn) perform molecular dynamics and Monte Carlo simulations and has a solver for 4th oder PDE.
Avvis) perform all the...
is a interactive molecular visualisation program designed especially designed for coarse-grained simulation of non-spherical particles. Ellipsoids (Gay-Berne), disks, and custom shaped uniaxial particle (e.g. pear-shaped particles) can be represented.
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Docket is an AI-powered sales enablement platform designed to unify go-to-market (GTM) data through its proprietary Sales Knowledge Lake™ and activate it with intelligent AI agents. The platform helps marketing teams increase pipeline generation by 15% by engaging website visitors in human-like conversations and qualifying leads. For sales teams, Docket improves seller efficiency by 33% by providing instant product knowledge, retrieving collateral, and creating personalized documents. Built for GTM teams, Docket integrates with over 100 tools across the revenue tech stack and offers enterprise-grade security with SOC 2 Type II, GDPR, and ISO 27001 compliance. Customers report improved win rates, shorter sales cycles, and dramatically reduced response times. Docket’s scalable, accurate, and fast AI agents deliver reliable answers with confidence scores, empowering teams to close deals faster.
SMMP (Simple Molecular Mechanics for Proteins) is a program library for protein simulations with an emphasis on advanced Monte Carlo algorithms. It includes various force fields to calculate the energy of a protein and protein-protein interactions.
PyBact is an opensource software written in Python for Bacterial Identification. The software generates simulated data matrix which accurately represents the probabilistic positive/negative results of the tested biochemical test.
FAUNUS is an object oriented class library for molecular simulation, written in C++. It contains routines and utility programs for, Metropolis Monte Carlo sampling (NVT, NPT, NmuT ensembles), Macromolecules, Proton Titration, Widom Analysis etc.
Use SASSIE to generate and manipulate large numbers of molecular structures and then calculate the SAXS, SANS, and neutron reflectivity profiles from atomistic structures. Use for intrinsically disordered proteins. We need alpha-testers and developers.
This project is A Mitochondrial OxydoReduction Simulation System. It consists of two linked projects: a program for displaying and analysing large biomolecular systems (Floral) and a multi-agent simulator for biomolecular oxydoreduction systems (AMORSS).
Cellogica is a cellular logic analysis tool. It incorporates sequential logic and finite state machine to elucidate the relationship between transcription factors and corresponding gene expression.