Small competition project to evaluate several splitting methods for double cold splits of Drug-Target-Interaction datasets
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Updated
Jun 24, 2022 - Python
Small competition project to evaluate several splitting methods for double cold splits of Drug-Target-Interaction datasets
Final Project of Deep Learning for Healthcare Spring 2022 - Reproducing DeepDTA
Using spectral graph theory to analyze two biological networks
An integrated drug-target bioactivity matrix across 52,498 chemical compounds and 467 kinase targets
Integrated View Predictive GAN for Drug-Target Indication Prediction
Official implementation of "Weighted Weighted Edit Distance optimized using Genetic Algorithm for SMILES-based Compound Similarity, PAAA(SCIE)".
De novo target prediction by chemical similarity-guided network-based inference
Electrophysiology Chemical Drug Signal Identification, Fentanyl data...
Source code and dataset for paper "BNEMDI: a novel multiple features integrated model for miRNA-drug interaction prediction"
My Machine Learning Projects
A PyTorch-based system for highly accurate drug-target interaction predictions utilizing multi-modal large language models to discern structural affinities in drug-target pairs.
Automatic extraction of interacting compound-target pairs from ChEMBL.
D2MD: a DNA-Drug Molecular Docking Suite
Two matrix factorisation methods to solve drug-target interaction problem
Individual project for 5th year where models were trained to predict whether a drug and a protein bind together using their chemical properties and protein structural embeddings extracted from AlphaFold. Notebooks & Streamlit App Available
Voting-averaged ensemble regression and hybrid neural networks to investigate potent leads against colorectal cancer
DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images-with test scripts
Repository for "Improving evidential deep learning via multi-task learning," published in AAAI2022
NeuRank: Learning to Ranking with Neural Networks for Drug-Target Interaction Prediction
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