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Your applications are all built differently, but they all need to perform. NeoLoad simplifies and scales performance testing for everything, from APIs and microservices, to end-to-end application testing through innovative protocol and browser-based capabilities.
Although many potential applications exist in chemistry and material science, software to allow the general application of de novo structure-based design methods in supramolecular chemistry was non-existent. To address this limitation we created HostDesigner, a code that builds and evaluates millions of molecules in minutes. This command line executable builds 3D molecular structures by covalently connecting user-defined input fragments with pre-computed hydrocarbon fragments from a library...
Modern library for chemistry file reading and writing
Chemfiles is a modern and high-quality library for reading and writing trajectory files created by computational chemistry simulations program. These trajectories contains atomic positions, velocities, names, topology and sometimes more.
Running simulations produce enormous amounts of data, which has to be post-processed to extract physical information about the simulated system. Chemfiles provides an interface to access this information which is
- unified: the same code will work with all...
Open-source Python software library and GUI desktop environment for direct bioinformatic analysis of mass-spectrometry data through powerful scripting tools and interfaces to many machine data formats, database search engines, and peptide data formats.
For a copy of the source code, check out our Github repositories:
mzDesktop: https://github.com/MaxAlex/mzDesktop
multiplierz: https://github.com/MaxAlex/multiplierz
Reference implementation of the Systems Biology Graphical Notation: map exchange format and library handling import/export and validation.
Resource of the libSBGN project have been migrated from SourceForge to GitHub.
Latest changes can be found on GitHub now.
The code repository can be found here now
https://github.com/sbgn/libsbgn
The files (releases) can be found here now
https://github.com/sbgn/libsbgn/releases
The bugs and features (issues) can be found here now
https...
Entrust your employee well-being to Calmerry's nationwide network of licensed mental health professionals.
Calmerry is beneficial for businesses of all sizes, particularly those in high-stress industries, organizations with remote teams, and HR departments seeking to improve employee well-being and productivity
[OBSOLETE, check Github repository: https://github.com/LBT-CNRS/MDDriver)
MDDriver is a library allowing a user to easily couple molecular visualisation tools with simulation code through a network. It allows to carry out interactive molecular dynamics, visualize simulation results and drive a simulation in interactive time.
The Protein Geometry Database hosts the development code for a flexible database for searching protein geometry, as well as a library for accessing this data for protein modeling & refinement programs.
MOLGENIS can be used to generate databases for life science experiments (micrroarray, mass spectrometry, genomics) having a web user interface, csv exchange format, and programmatic interfaces (web services, rest, and r-project). See NatRevGen 8.
The Blue Obelisk is a group of scientists driven by a belief in Open Source, Open Standards and Open Data, expressed in code, data, algorithms, specifications, tutorials, demonstrations, articles and anything that helps get the message across.
The JChemPaint Applet and Swing Application are Java programs for drawing 2D chemical structures like those found in most chemistry textbooks. It is based on the Chemistry Development Kit (cdk.sf.net). Downloads, tracker, and source code repository can be found on http://jchempaint.github.com
Molevolve is a Java library for running a Genetic Algorithm to model the 3-dimensional structures of peptide chains from amino-acid sequences. Client code can specify its own peptide chain model, fitness functions and GA operations. Requires JDK 1.5.