SOTAVerified

Drug Design

Papers

Showing 111120 of 440 papers

TitleStatusHype
A Workflow for Exploring Ligand Dissociation from a Macromolecule: Efficient Random Acceleration Molecular Dynamics Simulation and Interaction Fingerprints Analysis of Ligand TrajectoriesCode1
Self-Supervised Graph Transformer on Large-Scale Molecular DataCode1
Sample-Efficient Optimization in the Latent Space of Deep Generative Models via Weighted RetrainingCode1
Drug–target affinity prediction using graph neural network and contact mapsCode1
Learning To Navigate The Synthetically Accessible Chemical Space Using Reinforcement LearningCode1
Accurate Protein Structure Prediction by Embeddings and Deep Learning RepresentationsCode1
Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural NetworksCode1
Assay2Mol: large language model-based drug design using BioAssay contextCode0
Diverse Mini-Batch Selection in Reinforcement Learning for Efficient Chemical Exploration in de novo Drug Design0
Active Learning-Guided Seq2Seq Variational Autoencoder for Multi-target Inhibitor Generation0
Show:102550
← PrevPage 12 of 44Next →

No leaderboard results yet.