computational-pharmaceutics

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imatheussm / undergraduation-completion-work

Course completion work defended and approved at the Faculdade de Computação (FACOMP) of the Instituto de Ciências Exatas e Naturais (ICEN) of the Universidade Federal do Pará (UFPa).

machine-learning feature-extraction dimensionality-reduction chemoinformatics computational-pharmaceutics drug-discovery-and-development human-intestinal-absorption

Updated Mar 11, 2022

f-sod / MONN-2

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MONN-2: updated Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins

deep-neural-networks computational-chemistry hyperparameter-tuning inference-algorithms computational-pharmaceutics

Updated Sep 21, 2022
Python

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