yulun-rayn / DGAPNLinks
This repository implements Distilled Graph Attention Policy Network (DGAPN), a curiosity-driven reinforcement learning model to generate novel graph-structured chemical representations.
☆9Updated 3 months ago
Alternatives and similar repositories for DGAPN
Users that are interested in DGAPN are comparing it to the libraries listed below
Sorting:
- This repository implements Distilled Graph Attention Policy Networks (DGAPNs), a curiosity-driven reinforcement learning model to generat…☆21Updated 3 years ago
- GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.☆37Updated last year
- Source code and dataset for 2022 Publication "Applying Deep Reinforcement Learning to the HP Model for Protein Structure Prediction"☆9Updated 2 years ago
- Code pipeline for the PaccMann^RL in iScience: https://www.cell.com/iscience/fulltext/S2589-0042(21)00237-6☆32Updated 3 years ago
- inferring sequence-structure motifs using deep learning☆37Updated last year
- Molecular-GAT☆21Updated 7 years ago
- A fully differentiable set autoencoder☆17Updated last year
- PyTorch implementation for our paper "Proximal Exploration for Model-guided Protein Sequence Design"☆36Updated last year
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆53Updated 4 years ago
- A convolutional neural network to predict PPI interactions☆42Updated 6 years ago
- Drug Response Variational Autoencoder☆30Updated 6 years ago
- A deep learning framework for high-throughput mechanism-driven phenotype screening☆49Updated 4 years ago
- Supplementary data for the ACME algorithm☆23Updated 2 years ago
- pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/☆28Updated 8 months ago
- Code and analyses related to the ExaLearn drug design efforts☆12Updated 4 years ago
- Unconstrained lattice antibody-antigen bindings generator☆109Updated 11 months ago
- Paper list for equivariant neural network☆10Updated 3 years ago
- A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".☆79Updated 2 years ago
- MOLI: Multi-Omics Late Integration with deep neural networks for drug response prediction☆54Updated 4 years ago
- Work on designing a graph co-attention algorithm.☆18Updated last year
- ☆81Updated last year
- Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding☆30Updated 2 years ago
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Updated 4 years ago
- Algorithms for prediction of drug-target interactions via computational (chemogenomic) methods☆45Updated 6 years ago
- Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability☆22Updated last year
- Code for the ICML 2019 paper 'Conditioning by adaptive sampling for robust design'☆36Updated 4 years ago
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆70Updated last year
- An up-to-date list of papers and code relating to progress in the burgeoning field of AI-Drug Discovery☆43Updated 5 years ago
- Deep Exploration Networks - Diverse Deep Generative Models for DNA, RNA and Protein Sequences☆29Updated 3 years ago
- The Compositional Perturbation Autoencoder (CPA) is a deep generative framework to learn effects of perturbations at the single-cell leve…☆100Updated 9 months ago