Topic: molecular-descriptors Goto Github
Some thing interesting about molecular-descriptors
Some thing interesting about molecular-descriptors
molecular-descriptors,AutoPaDELPy provides an automated user interface for PaDELPy software. It was created to provide a more friendly interaction with the software for the final user.
User: brendaferrari
molecular-descriptors,A Python wrapper for alvaDesc software
Organization: ecrl
molecular-descriptors,A Python wrapper for PaDEL-Descriptor software
Organization: ecrl
molecular-descriptors,MCDCalc: Calculation of Markov Singular Values Molecular Descriptors Online Tool
User: glezdiazh
Home Page: https://cptmltool.rnasa-imedir.com/CPTMLTools-Web/mmd
molecular-descriptors,python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
User: grisonifr
molecular-descriptors,👨🔬 A command-line application that utilizes the RDKit library to compute molecular descriptors and fingerprints, aiding in the analysis and characterization of chemical structures
User: kamilpytlak
Home Page: https://pypi.org/project/MoleculaPy/
molecular-descriptors,A proof-of-concept type demo of the Binary Encoded SMARTS Pattern Enumeration + Molecular aCCess System molecular descriptor developed as part of Bachelor's Thesis: "Feature engineering for machine learning predictions in atmospheric science." Includes a toy data set for demonstrative purposes.
User: kuulia
molecular-descriptors,A Molecular Stereostructure Descriptor based on Spherical Projection
User: licheng-xu-echo
molecular-descriptors,Calculation of peptide molecular descriptors.
Organization: linc-ufpa-br
molecular-descriptors,Repository of the VirtuousUmami tool able to predict the umami taste of a query compound from its molecular structure
User: lorenzopallante
Home Page: https://virtuoush2020.com/
molecular-descriptors,💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
User: nanxstats
Home Page: https://nanx.me/Rcpi/
molecular-descriptors,
Organization: patonlab
Home Page: https://ccas.nd.edu/
molecular-descriptors,SMILE to Descriptors and Fingerprint Generators
User: santuchal
molecular-descriptors,PaDEL-robust: A robust version of Python wrapper for PaDEL-Descriptor software
User: sciencealone
molecular-descriptors,The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit
User: silicos-it
molecular-descriptors,backup copy of https://code.google.com/archive/p/pychem/downloads
User: unixjunkie
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