MPI for Python (mpi4py)MPI for Python
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alvaDescAlvascience
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Related Products
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About
Over the last years, high performance computing has become an affordable resource to many more researchers in the scientific community than ever before. The conjunction of quality open source software and commodity hardware strongly influenced the now widespread popularity of Beowulf class clusters and cluster of workstations. Among many parallel computational models, message-passing has proven to be an effective one. This paradigm is specially suited for (but not limited to) distributed memory architectures and is used in today’s most demanding scientific and engineering application related to modeling, simulation, design, and signal processing. However, portable message-passing parallel programming used to be a nightmare in the past because of the many incompatible options developers were faced to. Fortunately, this situation definitely changed after the MPI Forum released its standard specification.
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About
alvaDesc is a cheminformatics software for the calculation and analysis of molecular descriptors, fingerprints, and structural patterns for QSAR, QSPR, read-across, and machine learning applications. It computes more than 5,000 molecular descriptors (0D–3D), including constitutional, topological, geometrical, electronic, physicochemical, and fragment-based descriptors.
The software also generates molecular fingerprints and structural pattern counts for similarity analysis, clustering, and classification. Integrated tools support descriptor filtering and correlation analysis for robust and reproducible modeling.
alvaDesc integrates seamlessly with KNIME and Python, enabling efficient connection to external data analysis and machine learning workflows. It is widely used in academic and industrial research and supported by extensive documentation and scientific publications.
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Audience
Developers looking for a Component Library solution
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Audience
Medicinal chemists, computational chemists, cheminformaticians, and data scientists working on QSAR/QSPR, molecular modeling, and chemical data analysis in academia and industry.
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Support
Phone Support
24/7 Live Support
Online
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Support
Phone Support
24/7 Live Support
Online
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API
Offers API
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API
Offers API
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Screenshots and Videos |
Screenshots and Videos |
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Pricing
Free
Free Version
Free Trial
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Pricing
No information available.
Free Version
Free Trial
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Reviews/
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Reviews/
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Training
Documentation
Webinars
Live Online
In Person
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Training
Documentation
Webinars
Live Online
In Person
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Company InformationMPI for Python
mpi4py.readthedocs.io/en/stable/
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Company InformationAlvascience
Founded: 2018
Italy
www.alvascience.com
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Categories |
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Integrations
Python
C
C++
Fortran
KNIME Analytics Platform
NumPy
alvaBuilder
alvaModel
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Integrations
Python
C
C++
Fortran
KNIME Analytics Platform
NumPy
alvaBuilder
alvaModel
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