EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data
SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)
Constructs and analyzes genotype/phenotype networks using a list of OMIM phenotypic MIM numbers as input; ranks and clusters disease associated gene sets; runs enrichment analysis on gene sets for mechanism and drug discovery.
Gather of AI scripts for drug discovery. Django based
Este projeto foi desenvolvido durante a Imersão Dados 3 - 2021. Nesta imersão aprendemos sobre o ramo de drug discovery e Machine Learning. Trabalhamos com bases de dados disponibilizados pelo Laboratory innovation science at Harvard em um desafio no kaggle.
Create a bioactivity prediction model using molecular descriptors (PADEL) and supervised machine learning (ML).
Bioinformatics/AI Drug Discovery Data Science Project
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