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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 scriptDevOPS_urban-memory_recall
DevOps is a philosophy and set of practices that brings teams together to deliver better software, faster. In this repo we are going to discuss and implemetn methodology of the modern DevOPS tools and techniques.ADME_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