Search Results for "atom"
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Showing 33 open source projects for "atom"
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MongoDB Atlas runs apps anywhereMongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.
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Infor M3 ERPEfficiently executing the complex processes of enterprise manufacturers and distributors. Infor M3 is a cloud-based, manufacturing and distribution ERP system that leverages the latest technologies to provide an exceptional user experience and powerful analytics in a multicompany, multicountry, and multisite platform. Infor M3 and related CloudSuite™ industry solutions include industry-leading functionality for the chemical, distribution, equipment, fashion, food and beverage, and industrial manufacturing industries. Staying ahead of the competition means staying agile. Our new capabilities bring improved data-driven insights and streamlined workflows to help you make informed decisions and take quick action.
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Protenix
A trainable PyTorch reproduction of AlphaFold 3
...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. The project also includes support for constraints (e.g., specifying residue- or atom-level contact constraints, or pocket constraints) to guide predictions toward biologically or experimentally relevant conformations, which enhances its utility for tasks like modeling complexes, ligands, or antibody–antigen interactions. -
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ThingPulse ESP8266 Weather Station
ESP8266 Weather Station library supporting OpenWeatherMap
...Make sure you use a version of the Arduino IDE which is supported by the ESP8266 platform. If you are using the PlatformIO environment for building, choose one of the available IDE integration or the Atom-based IDE, install libraries 561, 562, and 563 with "platformio lib install", adapt the WeatherStationDemo.ino file to your needs. The simple class uses the header date and time to set the clock. NTP-based time class written by Fabrice Weinberg. We fixed many bugs and improved performance and changed the API a little bit. Either compare your code to the updated WeatherStationDemo or read through the upgrade guide. -
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AtomProbeLab
Matlab-based analysis of Atom Probe Data
A collection of scripts and functions for the analysis of atom probe tomography data. Currently, this includes: standard file operations, plotting mass spectra, mass spectra analysis and mass peak overlap solving. For more information see the Wiki: https://sourceforge.net/p/atomprobelab/wiki/Home/ Quick overview video: https://youtu.be/8rJHce7M5UU More in-depth video using the APT school demos live script: https://www.youtube.com/watch? -
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APTTools
A collection of utilities for atom probe tomography analysis
A collection of command-line tools for atom probe analysis including: * Point data XML scripting language, load, transform, resize and otherwise alter point data * Radial Distribution Function analysis tools * Level-set tools for simulating shape transformations during experiments -
Cortex: Boost Developer Coding SkillsCortex is a simple portal that helps developers work smarter by linking all your tools, setting clear rules, and slashing repetitive tasks. It speeds up onboarding, updates old code, and fixes issues fast. Over 100 big companies use it to save time and get better results.
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Scalar-Defense-System
Scalar Defense using Photon Dark Photon FDM Waves
Scalar Defense leverages wave-like properties of Fuzzy Dark Matter to detect, track & deflect asteroids. Manipulating scalar fields (ϕ) & their interference patterns, system creates controlled gravitational potentials can alter asteroid trajectories. Foundation is the two-field FDM model, allows tuning density fringes via mass & velocity parameters -
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almost - all atom molecular simulation toolkit - is a fast and flexible molecular modeling environment that provides powerful and efficient algorithms for molecular simulation, homology modeling, de novo design and ab-initio calculations.
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A collection of codes that allow a user to store and use data on quantum levels in a system such as an atom, molecule, or nucleus.
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3Depict
atom probe software : visualisation and data analysis
This software is designed to help users visualize and analyze 3D point clouds with an associated real value, in a fast and flexible fashion. The primary use is in Atom Probe Tomography, which is an atomic imaging technique. However the program may also be useful in other areas, such as geospatial data, lidar, etc. -
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Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling.
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Data Center Infrastructure ManagementnetTerrain DCIM is a Data Center Infrastructure Management (DCIM) software that helps organizations automate and simplify the management of its entire Data Center and IT infrastructure. This solution is used by organizations that need to manage environmental capacity with less effort (space, rack, data, and power), track their IT assets and inventory, and efficiently manage cabling.
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Open Drug Discovery Toolkit (ODDT)
Modular and comprehensive toolkit for use in cheminformatics
...Most important and handy property of Molecule in ODDT are Numpy dictionaries containing most properties of supplied molecule. Some of them are straightforward, other require some calculation, ie. atom features. Dictionaries are provided for major entities of molecules. -
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Molecular Dynamics Studio
Molecular Dynamics Cell Construction
...PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing the initial MD cell. Modifications to PACKMOL allow the atom type data to be passed through to the MSI2LMP software. MSI2LMP creates a LAMMPS input file based on class I or class II force fields. MSI2LMP was modified to use numerically coded force field data generated by NanoEngineer-1. The MMP file format was extended and integrated into all three software applications. http://www.nanoengineer-1.net http://www.ime.unicamp.br/~martinez/packmol/ http://lammps.sandia.gov/ -
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codelyzer
Static analysis for Angular projects
A set of tslint rules for static code analysis of Angular TypeScript projects. (If you are using ESLint check out the new angular-eslint repository.). You can run the static code analyzer over web apps, NativeScript, Ionic, etc. Note that by default all components are aligned with the style guide so you won't see any errors in the console. Codelyzer supports any template and style language by custom hooks. If you're using Sass for instance, you can allow codelyzer to analyze your styles by... -
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Phaistos is a framework for all-atom Monte Carlo simulations of proteins. It incorporates several advanced probabilistic models of protein structure for conformational sampling, efficient move-algorithms and the OPLS and PROFASI forcefields.
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RAtom
solves nonlinear Kohn-Sham equation for the neutral atom.
RAtom solves nonlinear Kohn-Sham equation for the neutral atom. The adaptive algorithm based on finite element method (FEM) is implemented. Discretization of the differential eigenvalue problem is done by finite element method with Lobatto polynomials as a basis functions. High order Gauss quadratures are applied in order to obtain the total energy of atom with absolut accuracy of 1E-6 hartree. -
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vecds - Visual Editor of Crystal Defects - A QT and OSG application for visualization of atom-embedded grids.
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Visualization of Protein-Ligand Graphs
Compute protein graphs. Moved to https://github.com/MolBIFFM/PTGLtools
...The Visualization of Protein-Ligand Graphs (VPLG) software package computes and visualizes protein graphs. It works on the super-secondary structure level and uses the atom coordinates from PDB files and the SSE assignments of the DSSP algorithm. VPLG is command line software. If you do not like typing commands, try our PTGL web server: http://ptgl.uni-frankfurt.de/ -
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orbkit (Moved to Github)
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. If you use orbkit in your work,... -
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APL@Voro
APL@Voro a tool for model bilayer simulation analysis.
APL@Voro is a program designed to aid in the analysis of lipid bilayer simulations carried out by gromacs. It calculates the area per lipid and the membrane thickness even for mixed bilayers. Colored Voronoi diagrams and different types of plots are presented in an interactive environment. -
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An open-source software to convert SDF files into TINKER XYZ files (and viceversa) with automatic assignment of MMFF94 atom types, bond types and charges
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**(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.
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MSL
http://dx.doi.org/10.1002/jcc.22968
MSL is a C++ library that enables the computational study of macromolecules. The MSL library is not a program (although some applications are distributed) but a tool for scientist to code their own molecular modeling methods. Philosophy The main goal is to create a set of tools that enable the computational study of macromolecules with relative ease at all levels, from simple operations (for example, load a PDB and measure a distance or edit a dihedral) to complex applications... -
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javadbchem
A universal chemistry database system, using Java and any rdbms
...The system holds atoms and bonds as entities in the rdbms, this makes it possible to have properties recorded using foreign keys and referential integrity. Apache Torque is used for database access. The build system of the project makes it possible to add properties directly to the molecule/atom/bond tables. This makes it more flexible than systems where structures are saved as monolithic blobs in a single table. -
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ATOM is an OMERO client which allows automated import of image data into OMERO. ATOM is provided as is without any guarantees or warranty. The author is not responsible for any damage or losses of any kind caused by the use or misuse of the programs.
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aufbau
"aufbau" is a program that creates electron configuration of an atom.
This is version 1.2 of "aufbau". Its purpose is to create electron configuration of an atom, molecule or ion, following, of course, the "Aufbau" Principle. You can subscribe to the project's mailing lit here: https://lists.sourceforge.net/lists/listinfo/atomic-aufbau-news -
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We present an improved ball and stick representation called HyperBalls. This type of depiction is particularly useful to represent dynamic phenomena, such as the evolution of non covalent bonds and takes advantage of GPU capabilities. HyperBalls are now fully integrated into the UnityMol software and are actively developed in that context. You will find the most up-to-date versions of the shaders in the http://unitymol.sourceforge.net project.