[QUESTION]: about molpal HOT 6 CLOSED

screen-type = vina
metadata-template = {"software": "vina"}
receptors = [proteinH.pdb]

center = [20.556, -14.266, 1.286]
size = [17, 10, 22]

ncpu = 20

[general]
output-dir = molpal_eMols_0.005_rf_ucb
--retrain-from-scratch yes

[pool]
library = libraries/eMols_similarity_unique.smi.gz
# no fps file will force MolPAL to write a new HDF5 file with the fingperprints

[encoder]
# the default encoder is Atom-pair of length 2048, min_path=1, max_path=3

[model]
# by default, we use an RF model

[acquisition]
# by default, we acquire inputs greedily

[objective]
# there are no default objective values
objective = docking
objective-config = examples/objective/docking_brpf1.ini
--minimize

[stopping]
# by default, MolPAl will explore until the fractional difference betewen the
# current top-k average and the moving average of the 3 recent top-k averages
# is less than 0.01. the default k value is equal to 0.05% of the pool size