A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images

An official Molecule Transformer Drug Target Interaction (MT-DTI) model

Drug-Drug Interaction Predicting by Neural Network Using Integrated Similarity

Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)

Repository for the HackBio'2021 Internship for Team Drug-Development-A

Official implementation of DrugGEN

Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.

ISCMF: Integrated Similarity-Constrained Matrix Factorization for Drug-Drug Interaction Prediction

For this problem, we proposed the use of bidirectional-LSTM’s(Long Short Term Memory) with 1-D CNN layer to classify patient notes at character level and at word level. The 1-D CNN is employed to scale back the training time. In order to improve the performance, we will also feed the network combined word embedding consisting of Pre-trained word…

Secure multiparty computation for privacy-preserving drug discovery

DeepDrugDomain: A versatile Python toolkit for streamlined preprocessing and accurate prediction of drug-target interactions and binding affinities, leveraging deep learning for advancing computational drug discovery.

Integrated View Predictive GAN for Drug-Target Indication Prediction

HyperPCM: Robust task-conditioned modeling of drug-target interactions

Fetch pharmacological knowledge on chemical compounds and squeeze it into semantic triples. For analysis of chemical screens and training and evaluation of algorithms.

A Knowledge Graph to Illuminate the Druggable Genome

This is the repository for reproducing results in "APRILE: Exploring the Molecular Mechanisms of Drug Side Effects with Explainable Graph Neural Networks".

Medich is an application that raises the problem of satisfaction related to BPJS, especially in the lower classes, with Medich being able to solve all these problems. Medich has a Donation feature that will be very useful for the Community

M.Sc-final-project

Using ESM2 protein embeddings and MolecularTransformer drug embeddings to train a linear classifier to predict potential drug-targets interactions