config_BaselineChemical.yml

#
# Copyright (C)  2020  University of Pisa
#
# This program 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.
#
# This program 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 this program.  If not, see <https://www.gnu.org/licenses/>.
#
model:
  - MolecularFingerprint
device:
  - cpu
batch_size:
  - 32
  - 128
hidden_units:
  - 32
  - 128
  - 256
learning_rate:
  - 0.000001
  - 0.001
  - 0.1
l2:
  - 0.0001
  - 0.001
  - 0.01
classifier_epochs:
  - 5000
optimizer:
  - Adam
scheduler:
  - null
loss:
  - MulticlassClassificationLoss
gradient_clipping:
  - null
early_stopper:
  -
    class: Patience
    args:
      patience: 500
      use_loss: False
  -
    class: Patience
    args:
      patience: 500
      use_loss: True
shuffle:
  - True