Search Results for "molecular"
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Showing 12 open source projects for "molecular"
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Bowtie, an ultrafast, memory-efficient short read aligner for short DNA sequences (reads) from next-gen sequencers. Please cite: Langmead B, et al. Ultrafast and memory-efficient alignment of short DNA sequences to the human genome. Genome Biol 10:R25.
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SeaBreeze
Open-source cross-platform spectrometer device driver
SeaBreeze is a device driver library that provides an interface to select Ocean Optics spectrometers. It is written in C/C++ and builds and runs on Windows (XP/7/8), MacOSX, and Linux (x86/x64/ARM). -
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Spektral
Graph Neural Networks with Keras and Tensorflow 2
...The main goal of this project is to provide a simple but flexible framework for creating graph neural networks (GNNs). You can use Spektral for classifying the users of a social network, predicting molecular properties, generating new graphs with GANs, clustering nodes, predicting links, and any other task where data is described by graphs. Spektral implements some of the most popular layers for graph deep learning. Spektral also includes lots of utilities for representing, manipulating, and transforming graphs in your graph deep learning projects. ... -
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DockStream
A Docking Wrapper to Enhance De Novo Molecular Design
DockStream is a docking wrapper providing access to a collection of ligand embedders and docking backends. Docking execution and post hoc analysis can be automated via the benchmarking and analysis workflow. The flexilibity to specifiy a large variety of docking configurations allows tailored protocols for diverse end applications. DockStream can also parallelize docking across CPU cores, increasing throughput. DockStream is integrated with the de novo design platform, REINVENT, allowing one... -
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Ocean Optics Sample Pack
Sample code for Ocean Optics OmniDriver spectrometer device driver
Sample code demonstrating how to use OmniDriver to drive Ocean Optics full range of spectrometers from C, C++, C#, Java, LabVIEW, Delphi, MATLAB and more. -
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mol3d
A metapost macro for drawing 3D molecular structures
Mol3d is a macro using metapost language (https://www.tug.org/metapost.html) for producing vector graphics of 3D molecular structures. It is based on the m3D macro developed by Anthony Phan (http://www-math.univ-poitiers.fr/~phan/m3Dplain.html). -
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gMol
gMol molecular graphics
We've moved to https://github.com/tjod/gMol/wiki gMol is an interactive visualization system used to display and manipulate 3-dimensional models of scientific data, such as molecular structures and surfaces. It contains both OpenGL and web browser widgets that enable flexible user interfaces. -
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OPEN GENERAL SCIENTIFIC INTERFACES homepage : http://www.opengsi.org
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birgHPC is a Linux Live CD distribution based on PelicanHPC and Debian Live. birgHPC features automated cluster configuration on PCs in the same network specifically for bioinformatics and molecular dynamics. If you are looking for CUDA support, try birgHPCC (https://sourceforge.net/projects/birghpcc/) If you use birgHPC in your work, please cite us: Teong Han Chew, Kwee Hong Joyce-Tan, Farizuwana Akma and Mohd Shahir Shamsir. birgHPC: creating instant computing clusters for bioinformatics and molecular dynamics. Bioinformatics. ...
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ProgPorts is an administrative and easy user interface to hundreds of proteomics, molecular dynamics, and protein crystallography programs. It is a hybrid of the prog/setup system, developed at Johns Hopkins University, and GNU-Darwin ports system.
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