Bioinformatika's repositories
Practical-Machine-Learning-and-Image-Processing
Source Code for 'Practical Machine Learning and Image Processing' by Himanshu Singh
2021_QSARcovid
Небольшой проект с попыткой найти что-то нормальное среди молекул
adversarial-learning-robustness
Contains materials for workshops pertaining to adversarial robustness in deep learning.
code
Compilation of R and Python programming codes on the Data Professor YouTube channel.
deeplearning-models
A collection of various deep learning architectures, models, and tips
DEEPScreen
DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
DiffusionDrawer
Diffusion models for 2D rendering of compounds
Drug_Discovery
QSAR
hignn
Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
image
leaf
ml_model_deployment_example
A simple example to showcase machine learning model deployment with an API
ML_QSAR
This repo holds all the codes on all the machine learning models and the fuzzy logic model that has been created to solve this problem regarding the QSAR dataset.
molecule-solubility
Molecule water solubility prediction using DeepChem.
pattern_classification
A collection of tutorials and examples for solving and understanding machine learning and pattern classification tasks
QSAR-falcipain-inhibitor
Bioinformatics project using QSAR with machine learning approach to predict falcipain inhibitor as potential anti-malarial agent
QSAR-Modeling
Supervised machine learning for Quantitative Structure-Activity Relationship modeling
QSAR-Modelling
Developing a regression-based QSAR (quantitative structure-activity relationships) model to identify compounds that have 3-chymotrypsin-like protease (3CLpro) inhibitory activity.
QSAR_PFAS
This model contains code and data for developing QSAR models in the SCENARIOS project
QSARapp
The app performs the QSAR modelling for topoisomerase II inhibitors. It takes SMILE of compounds as an input and give predicted values (82.70% accurate) of their bioactivity with topoisomerase II.
SolubilityPrediction
A web based application predicts water solubility of any given chemical compound known or unknown
YaSAScore
Prediction of compound synthesis accessibility bashed on reaction knowledge graph