batmanlab / drugEmbeddingLinks
Hierarchical Embedding for Drugs
☆16Updated last year
Alternatives and similar repositories for drugEmbedding
Users that are interested in drugEmbedding are comparing it to the libraries listed below
Sorting:
- ☆12Updated 4 years ago
- ☆10Updated 5 years ago
- Compressed Graph Representation for Scalable Molecular Graph Generation☆11Updated 5 years ago
- ☆32Updated 7 years ago
- Code and analyses related to the ExaLearn drug design efforts☆11Updated 5 years ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Updated 5 years ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Updated 4 years ago
- Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b0122…☆14Updated 5 years ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 5 years ago
- Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding☆31Updated 2 years ago
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Updated 5 years ago
- A Python package for drug discovery by analyzing causal paths on multiscale networks☆28Updated last year
- Code for KekuleScope☆11Updated 3 years ago
- ☆11Updated 2 years ago
- SPVec: A Word2vec-inspired feature representation method for Drug-Target Interaction Prediction☆20Updated 6 years ago
- a protein descriptor for site prediction☆16Updated 6 years ago
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds☆10Updated 5 years ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago
- a deep learning framework for essential protein prediction☆13Updated 2 years ago
- Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability☆23Updated 2 years ago
- AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules☆36Updated 3 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
- ☆14Updated 3 years ago
- ☆17Updated 2 years ago
- GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.☆40Updated 2 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Updated 3 years ago
- Shows some of the ways molecule generation and optimization can go wrong☆17Updated 2 years ago
- CASTER: Predicting Drug Interactions with Chemical Substructure Representation (AAAI 2020)☆25Updated 5 years ago
- HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means☆16Updated last year