Topic: molecular-fingerprints Goto Github
Some thing interesting about molecular-fingerprints
Some thing interesting about molecular-fingerprints
molecular-fingerprints,Script developed to build an interactive molecular similarity network to visualize Tanimoto similarity between molecules in a dataset.
User: brendaferrari
molecular-fingerprints,A Python wrapper for alvaDesc software
Organization: ecrl
molecular-fingerprints,A Python wrapper for PaDEL-Descriptor software
Organization: ecrl
molecular-fingerprints,A parametric approach for molecular encodings using multilevel atomic neighborhoods applied to peptide classification
User: ghattab
molecular-fingerprints,Project of drug interactions https://arxiv.org/pdf/2209.09941.pdf https://arxiv.org/pdf/2302.08680.pdf, NeurIPS 2022 (AI for Science)
Organization: hysonlab
Home Page: https://arxiv.org/pdf/2209.09941.pdf
molecular-fingerprints,A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data
Organization: idslme
molecular-fingerprints,A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.
User: jeffrichardchemistry
molecular-fingerprints,Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.
User: jeffrichardchemistry
Home Page: http://www.pysirc.com.br
molecular-fingerprints,hacked code to bicluster molecules using rdkit and scikitlearn
User: lhm30
molecular-fingerprints,a *biosynformatic* fingerprint to explore natural product distance and diversity
User: lucinamay
molecular-fingerprints,Script to generate, search, draw Klekota-Roth fingerprints
User: michal-p-sapa
molecular-fingerprints,⚗️ Tidy Chemical Data
User: nanxstats
Home Page: https://nanx.me/tidychem/
molecular-fingerprints,PaDEL-robust: A robust version of Python wrapper for PaDEL-Descriptor software
User: sciencealone
molecular-fingerprints,mirror of http://jcompoundmapper.sourceforge.net/
User: unixjunkie
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