mathcom / RefDNNLinks
RefDNN: a reference drug based neural network for more accurate prediction of anticancer drug resistance (Scientific Reports)
☆14Updated 3 years ago
Alternatives and similar repositories for RefDNN
Users that are interested in RefDNN are comparing it to the libraries listed below
Sorting:
- Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds☆10Updated 5 years ago
- The Supplementary data in the paper "A Survey and Systematic Assessment of Computational Methods for Drug Response Prediction"☆12Updated 6 years ago
- Code for KekuleScope☆11Updated 3 years ago
- ☆16Updated 7 years ago
- ☆13Updated 5 years ago
- Code and analyses related to the ExaLearn drug design efforts☆11Updated 5 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Updated 3 years ago
- Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data☆10Updated 8 years ago
- ☆12Updated 4 years ago
- Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.☆15Updated 7 years ago
- Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding☆30Updated 2 years ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Updated 4 years ago
- ☆24Updated 4 years ago
- ProQDock is a Protein-Protein docking scoring program that uses high level coordinate driven features compiled and trained by a Support V…☆11Updated 3 years ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 5 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Updated 2 weeks ago
- DNN-DTIs: improved drug-target interactions prediction using XGBoost feature selection and deep neural network☆12Updated 4 years ago
- Implementation of ReSimNet for drug response similarity prediction☆40Updated last year
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- SPRINT: Scoring PRotein INTeractions☆16Updated 5 years ago
- This is a deep learning model used to predict molecular energy☆13Updated 6 years ago
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Updated 4 years ago
- COVID-19 Drug Design using Generative RNN-LSTM☆14Updated 5 years ago
- PyTorch implementation of bimodal neural networks for drug-cell (pharmarcogenomics) and drug-protein (proteochemometrics) interaction pre…☆54Updated 4 months ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆14Updated 5 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago
- gmx_corr converts the covariance matrix which is produced by GROMACS covar to cross correlation matrix and creates a heat map figure.☆11Updated 3 years ago
- ☆14Updated 3 years ago
- mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…☆15Updated 7 years ago
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Updated 4 years ago