Difference between revisions of "Main Page"
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| − | + | Welcome to the official '''TurboGAP''' website! | |
| − | + | '''TurboGAP''' is a Fortran code that offers different levels of functionality for machine-learning driven atomistic simulation. The main functionality is provided via '''TurboGAP''''s library for efficient construction of accurate SOAP-type many-body atomic descriptors. These can be used in combination with the [http://libatoms.github.io QUIP/GAP code], [https://singroup.github.io/dscribe/ DSCRIBE], or with '''TurboGAP''''s native interface. Thanks to QUIP/GAP, '''TurboGAP''' <code>soap_turbo</code> descriptors can be used to run MD simulations with LAMMPS. Together with the libraries and the native interface, we also provide a list of interatomic [[potentials]] to be used with the code. | |
| − | + | '''TurboGAP''' is developed in [https://miguelcaro.org Miguel Caro's group] at Aalto University. | |
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| − | + | '''TurboGAP''' is free to use for non-commercial purposes, provided that you adhere to its [https://github.com/mcaroba/turbogap/blob/master/LICENSE.md license]. If you want to use '''TurboGAP''' for commercial purposes, or purposes not covered by the '''TurboGAP''' non-commercial license, please contact the [[TurboGAP team]]. | |
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Revision as of 19:31, 25 August 2020
Welcome to the official TurboGAP website!
TurboGAP is a Fortran code that offers different levels of functionality for machine-learning driven atomistic simulation. The main functionality is provided via TurboGAP's library for efficient construction of accurate SOAP-type many-body atomic descriptors. These can be used in combination with the QUIP/GAP code, DSCRIBE, or with TurboGAP's native interface. Thanks to QUIP/GAP, TurboGAP soap_turbo descriptors can be used to run MD simulations with LAMMPS. Together with the libraries and the native interface, we also provide a list of interatomic potentials to be used with the code.
TurboGAP is developed in Miguel Caro's group at Aalto University.
TurboGAP is free to use for non-commercial purposes, provided that you adhere to its license. If you want to use TurboGAP for commercial purposes, or purposes not covered by the TurboGAP non-commercial license, please contact the TurboGAP team.
