aimmd.ops.hooks

aimmd.ops.hooks#

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/>.

Classes

AimmdStorageHook(storage, model, trainset[, ...])

Save model and trainset to aimmd storage in predefined intervals.

DensityCollectionHook(model[, ...])

Collect/update estimate of density of transition path in committor space.

TrainingHook(model, trainset[, ...])

Iteratively add shooting results to the trainset and train the model.