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An application for parameterization of biological models available in SBML and BNGL formats. Features include parallelization, metaheuristic optimization algori…
A Monte Carlo Tree Search (MCTS) implementation for discovering and optimizing stable intermetallic crystal structures containing uranium and f-block elements b…
The C++ ELEMENTS library contains a suite of sub-libraries to support mathematical functions (elements), data representations (MATAR), and novel mesh classes (g…
Fierro is a C++ code designed to aid the research and development of numerical methods, testing of user-specified models, and creating multi-scale models relate…
MATAR is a C++ software library to allow developers to easily create and use dense and sparse data representations that are also portable across disparate archi…
Validation through explicit state-vector validation of the swap operations generated using Dicke-state construction to produce the antisymmetrized states of tar…
Iterative Multiscale Molecular Dynamics in OpenMM: Accelerating Conformational Sampling of Biomolecular Systems by Iterating All-Atom and Coarse-Grained Molecul…