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RDKit
R
Analyzed 1 day ago
A collection of cheminformatics and machine-learning software written in C++ and Python.
Licenses:
BSD-3-Clause, gpl
JaCuda
J
Analyzed about 4 hours ago
JaCuda is a small project which provides several mathematical function useful for a chemist or somebody working with mass specs.
These functions will be executed using a cuda compatible gpu or if none is available it will fall back to the c++ implementation. If this is also not possible we will
aquarius-chem
A
Analyzed about 13 hours ago
Parallel quantum chemistry package built on structured tensor contractions.
Licenses:
bsd_2clau...
ANUChem
No analysis available
ANUChem is a collection of computational chemistry codes written in the X10 programming language. These include:
* Pumja Rasaayani (Quantum Chemistry): energy calculation using the Hartree-Fock SCF method;
* FMM: electrostatics calculation (for molecular dynamics) using the Fast Multipole
Mostly written in language not available
Licenses:
eclipse
Cantera
Analyzed about 22 hours ago
An object-oriented software toolkit for chemical kinetics, thermodynamics, and transport processes.
Licenses:
BSD-3-Clause
elem
E
Analyzed about 1 hour ago
Elem is a periodic table of the elements for unix like operating systems. By clicking an element you get a message window showing some additional information on that specific element. The sum of all atomic masses of the clicked elements is displayed. This helps calculating the molar weight of molecules.
thermo
T
Analyzed 1 day ago
thermo: Chemical properties component of Chemical Engineering Design Library (ChEDL)
thermo is open-source software for engineers, scientists, technicians and anyone trying to understand the universe in more detail. It facilitates the retrieval of constants of chemicals, the calculation of
opem
Analyzed about 7 hours ago
OPEM (Open Source PEM Cell Simulation Tool)
The Open-Source PEMFC Simulation Tool (Opem) is an open-source mathematical simulation package for polymer electrolyte fuel cells. It contains a database of physical phenomena equations, and kinetics mathematical models in order to perform