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Force Field X

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  Analyzed 12 months ago

Force Field X (FFX) is a group of open source (GPL v. 3 with Linking Exception), platform independent modules for molecular biophysics. Key methods include: 1) Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force fields 2) Particle-mesh Ewald (PME) electrostatics with ... [More] support for space group symmetry 3) Generalized Kirkwood continuum electrostatics 4) Single and Dual-Topology Orthogonal Space Random Walk (OSRW) free energy methods 5) L-BFGS, Simulated Annealing and Dead-End Elimination optimization algorithms 6) Reciprocal space refinement for X-ray and Neutron Diffraction data sets 7) Real space refinement for X-ray Diffraction, Neutron Diffraction and CryoEM data sets 8) Shared memory, cluster parallel and coprocessor based parallelization strategies [Less]

366K lines of code

9 current contributors

about 1 year since last commit

1 users on Open Hub

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5.0
 
0 Reviews
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Mostly written in Java
Licenses: gpl_class...
Tags drug-design gpu java molecular-dynamics molecular-modelling molecular-simulation parallel protein protein-kinase protein-structure scientific-computing scientificcomputing 2 more...

PHPSci CArray Extension

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  Analyzed 12 months ago

PHP library for scientific computing powered by C. Used (for example) by Rubix ML. Replaced by https://openhub.net/p/numpower

20.5K lines of code

0 current contributors

almost 4 years since last commit

1 users on Open Hub

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0.0
 
0 Reviews
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Mostly written in C
Licenses: mit
Tags Extension machinelearning math ml performance php php-array PHPSci rubix rubixml scientific-computing

Quilë

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  Analyzed 12 months ago

C++ genetic algorithms scientific library

4.53K lines of code

0 current contributors

over 1 year since last commit

0 users on Open Hub

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0.0
 
0 Reviews
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Mostly written in C++
Licenses: mit
Tags c++ C++ cplusplus genetic-algorithm genetic_algorithm geneticalgorithm genetic-algorithms genetic_algorithms geneticalgorithms headerlibrary header-only header_only 8 more...

Tensor PHP

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  Analyzed 12 months ago

Tensor is a library and extension that provides objects for scientific computing in PHP.

39.1K lines of code

0 current contributors

over 1 year since last commit

0 users on Open Hub

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0.0
 
0 Reviews
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Mostly written in C
Licenses: lgpl
Tags engineering extension library linear-algebra math math-library matrix matrix-decomposition php scientific-computing statistics tensor 2 more...

Volesti

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  Analyzed 12 months ago

volesti provides functionality for high-dimensional sampling, volume estimation and convex optimization. Moreover, there is support for high-dimensional copula estimation that is useful but not limited to modelling financial crises and analysing metabolic networks in systems biology.

95.5K lines of code

0 current contributors

about 1 year since last commit

0 users on Open Hub

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0.0
 
0 Reviews
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Mostly written in C++
Licenses: lgpv3_or_...
Tags c++ computational-geometry geometry high-dimensional python R scientific-computing statistics

matrico

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  Analyzed 12 months ago

A flonum matrix module for CHICKEN Scheme.

2.66K lines of code

0 current contributors

over 1 year since last commit

0 users on Open Hub

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0.0
 
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Mostly written in Scheme
Licenses: No declared licenses
Tags chicken-egg chicken-scheme linear-algebra numerical-computing scheme scheme-library scientific-computing