aimmd.base.utils

aimmd.base.utils#

This file is part of AIMMD.

AIMMD is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.

AIMMD is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

You should have received a copy of the GNU General Public License along with AIMMD. If not, see <https://www.gnu.org/licenses/>.

Functions

emulate_production_from_storage(model, ...)

Emulates a TPS production run from given trainset.

emulate_production_from_trainset(model, trainset)

Emulates a TPS production run from given trainset.

get_batch_size_from_model_and_descriptors(...)

Get a batch size value either from models expected efficiency params or from descriptors size.