applicability-domain

There are 7 repositories under applicability-domain topic.

lhm30/PIDGINv3
Protein target prediction using random forests and reliability-density neighbourhood analysis
Language:Python40 6 814
jeffrichardchemistry/pyADA
A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.
Language:Jupyter Notebook21 3 19
plissonf/ML-guided-discovery-and-design-of-non-hemolytic-peptides
Classification models for hemolytic nature and hemolytic activity predictions in peptide/protein sequences
Language:Jupyter Notebook15 0 09
UnixJunkie/hts_shrink
Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets
Language:OCaml7 1 82
Henrique-rt/QSAR_applicability_domain_convex_hull
Allows to visualize and analyze if the molecules of the test set and of an external set are contained in the convex hull defined by the molecules of the training set.
Language:Python6 1 02
UnixJunkie/rankers
Reference implementation of the Vanishing Ranking Kernels (VRK) method
Language:OCaml5 1 8
juanv66x/viraldomain
Applicability Domain Methods of Viral Load and CD4 Lymphocytes.
Language:R0 1 20