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molecular_fingerprint
Molecular FingerprintADMET_calculations
ADMET calculations from different research paper and a goal to make it memory efficent with ML implementations.ADMET
ADMET: An Essential Component in Drug Discovery and DevelopmenthERG
A robust predictor for hERG channel blockade based on deep learning meta-feature ensemblespython_pymol_automated_mutation
This repo automate the process of mutations into protein structures using python pymol scriptStreamlit_Molecular_Similarity
Understanding Molecular SimilarityADME_Tox
This post is a step-by-step implementation of our approach and is meant for sharing, studying, and critiquing by fellow researchers who are new and interested in the ADME Tox screening topic.Physicochemical_Properties_Small_Molecule
Physicochemical Property data extraction from small moleculePhysicochemical_and_Medicinal_Chemistry_data_analysis
Implementation of calculating the Physicochemical properties and Medicinal Chemistry from small molecule or from peptidemolecule_descriptors_and_fingerprint
SMILE to Descriptors and Fingerprint GeneratorsAI_Chemist_Challenge
AI_Chemist_Challenge_Absorption_Lipophilicitysantuchal.github.io
Molecular_Similarity
Molecular Similarity using different fingerprintLove Open Source and this site? Check out how you can help us