diff --git a/docs/source/changelog.rst b/docs/source/changelog.rst index 6ca72643..aba84063 100644 --- a/docs/source/changelog.rst +++ b/docs/source/changelog.rst @@ -1,5 +1,11 @@ Change Log ========== + +v2.0.1 (2022-5-31) +------------ +* Made default `run_stoned` argument use basic instead of semantically robust alphabet, as + claimed in documentation + v2.0.0 (2022-5-31) ------------ * Added surrogate model explanation method diff --git a/exmol/exmol.py b/exmol/exmol.py index 28521f9a..159ec78c 100644 --- a/exmol/exmol.py +++ b/exmol/exmol.py @@ -263,7 +263,7 @@ def run_stoned( :return: SELFIES, SMILES, and SCORES generated or SMILES and SCORES generated """ if alphabet is None: - alphabet = list(sf.get_semantic_robust_alphabet()) + alphabet = get_basic_alphabet() if type(alphabet) == set: alphabet = list(alphabet) num_mutation_ls = list(range(min_mutations, max_mutations + 1)) diff --git a/exmol/version.py b/exmol/version.py index e6b5ec23..9ff60350 100644 --- a/exmol/version.py +++ b/exmol/version.py @@ -1 +1 @@ -__version__ = "2.0.0" +__version__ = "2.0.1"