From 4e9cfefca0708e964cc2e1109cdf7208e0c067e9 Mon Sep 17 00:00:00 2001 From: RaulFD-creator Date: Tue, 27 Jan 2026 10:37:54 +0000 Subject: [PATCH 1/2] =?UTF-8?q?=F0=9F=AA=B2=20Add=20hparams=20file=20for?= =?UTF-8?q?=20linreg?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- autopeptideml/data/h_param_search/linreg_reg.yml | 3 +++ 1 file changed, 3 insertions(+) create mode 100644 autopeptideml/data/h_param_search/linreg_reg.yml diff --git a/autopeptideml/data/h_param_search/linreg_reg.yml b/autopeptideml/data/h_param_search/linreg_reg.yml new file mode 100644 index 0000000..72f911d --- /dev/null +++ b/autopeptideml/data/h_param_search/linreg_reg.yml @@ -0,0 +1,3 @@ +tol: + type: fixed + value: 1e-4 From 57a90753a30b19c552216a70989b4d2b2f271234 Mon Sep 17 00:00:00 2001 From: RaulFD-creator Date: Tue, 27 Jan 2026 10:39:05 +0000 Subject: [PATCH 2/2] =?UTF-8?q?=F0=9F=AA=B2=20Control=20input=20type=20for?= =?UTF-8?q?=20fingerprints?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- autopeptideml/reps/fps.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/autopeptideml/reps/fps.py b/autopeptideml/reps/fps.py index 519e328..82ef750 100644 --- a/autopeptideml/reps/fps.py +++ b/autopeptideml/reps/fps.py @@ -76,8 +76,8 @@ def __init__(self, rep: str, nbits: int, radius: int): :rtype: None """ super().__init__(rep, nbits=nbits, radius=radius) - self.nbits = nbits - self.radius = radius + self.nbits = nbits if isinstance(nbits, int) else int(nbits) + self.radius = radius if isinstance(radius, int) else int(radius) self.name = f'{self.engine}-{rep}-{self.nbits}-{self.radius}' self.count = 'count' in rep if self.count: