CREST - A program for the automated exploration of low-energy molecular chemical space.
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Updated
Dec 9, 2025 - Fortran
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metadynamics
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Functional prototype of a web platform for Molecular Dynamics (MD) and Monte Carlo (MC) simulations oriented to computational physics, theoretical chemistry and materials science.
javascript python docker flask fortran makefile numpy monte-carlo molecular-dynamics scientific-visualization computational-physics gnu-fortran metadynamics umbrella-sampling langevin-dynamics lennard-jones replica-exchange
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Updated
Nov 4, 2025 - Fortran
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