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Search results for cmake chemistry

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Universal cheminformatics toolkit, utilities and database search tools

COPASI is a software application for simulation and analysis of biochemical networks and their dynamics.

Openchemistry ⭐ 74

Supermodule containing submodules and external project to build all components

Repository for an in-progress 3D, block structured, explicit/implicit, Navier-Stokes solver.

Spitfire ⭐ 30

Spitfire is a Python/C++ library for constructing tabulated chemistry models and solving differential equations.

The Ghent Quantum Chemistry Package for electronic structure calculations

Serenity ⭐ 24

The release-only repository of the subsystem focused quantum chemistry code Serenity

An open source program for the description of metastable electronic states in molecules.

Parallel Computational Chemistry Application

Vespucci ⭐ 12

A free (open source), cross-platform tool for spectroscopic data analysis and imaging

Proteindf ⭐ 12

Canonical (Kohn-Sham) molecular orbital calculation software for large molecules such as protein

An application for simulating Chemical Reaction Networks

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