computational-pharmaceutics

Here are 3 public repositories matching this topic...

mohamedtalaat-gif / CEREBRO-X

Open-source computational pipeline for CNS drug-delivery formulation screening — real PBPK, DLVO colloidal stability, AutoDock Vina docking, and ChEMBL-trained QSAR, with a public audit trail of its own bugs. Research prototype, not clinically validated.

python open-source deep-learning cheminformatics ml computational-biology drug-delivery blood-brain-barrier computational-pharmaceutics reverse-ml

Updated Jul 26, 2026
Python

imatheussm / undergraduation-completion-work

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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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