Topic: chemical-space Goto Github
Some thing interesting about chemical-space
Some thing interesting about chemical-space
chemical-space,MolDrug (from Molecule to Drug) is a python package for drug-oriented optimization on the chemical space โ
User: ale94mleon
Home Page: https://moldrug.rtfd.io/
chemical-space,This repository contains all the projects related to Chemical Space Analysis.
User: brendaferrari
chemical-space,CReM: chemically reasonable mutations framework
User: drrdom
chemical-space,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.
User: henrique-rt
Home Page: https://github.com/Henrique-rt/QSAR_applicability_domain_convex_hull
chemical-space,C++/Python Library for Systematic Chemical Space Exploration
Organization: lich-uct
Home Page: https://lich-uct.github.io/molpher-lib/
chemical-space,The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical space visualization.
User: martin-sicho
Home Page: https://martin-sicho.github.io/genui/docs/index.html
chemical-space,A repository to build and deploy GenUI docker images. GenUI is a collection of web services for interactive molecular generation, QSAR modelling and chemical space visualization.
User: martin-sicho
Home Page: https://martin-sicho.github.io/genui/docs/index.html
chemical-space,A python package for chemical space visualization.
User: mcsorkun
Home Page: https://chemplot.readthedocs.io/en/latest/
chemical-space,Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real number descriptors.
Organization: mqcomplab
chemical-space,WORK IN PROGRESS - The ChemHopper program builds directed multigraphs of organic molecules n chemical transformations away from a given starting molecule. The program can then evaluate generated molecules by drug-likeness and synthesizability metrics.
User: n-beckage
chemical-space,Machine learning meets natural products
User: smortezah
chemical-space,๐งช Create, predict and simulate successful or unsuccessful chemical reactions. Explore and expand the chemical universe.
User: sourceduty
Home Page: https://chat.openai.com/g/g-pnIVeOtxZ-chemistry-simulator
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