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,Data, scripts, and software tools for automated evaluation of Ru-based catalysts for olefin metathesis.
Organization: denoptim-project
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: "Molecular descriptor 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,Command line and webapp for retrosynthetic disconnections, molecular complexity and synthetic accessibility metrics
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
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.