SOTAVerified

Computational chemistry

Papers

Showing 1–10 of 122 papers

TitleStatusHype
Acquiring and Adapting Priors for Novel Tasks via Neural Meta-Architectures—0
Unlocking Chemical Insights: Superior Molecular Representations from Intermediate Encoder LayersCode0
ChemGraph: An Agentic Framework for Computational Chemistry Workflows—0
Aitomia: Your Intelligent Assistant for AI-Driven Atomistic and Quantum Chemical Simulations—0
El Agente: An Autonomous Agent for Quantum Chemistry—0
Adjoint Sampling: Highly Scalable Diffusion Samplers via Adjoint Matching—0
Machine Learned Force Fields: Fundamentals, its reach, and challenges—0
A Transformer Model for Predicting Chemical Reaction Products from Generic Templates—0
Integrating convolutional layers and biformer network with forward-forward and backpropagation trainingCode0
Auto-ADMET: An Effective and Interpretable AutoML Method for Chemical ADMET Property Prediction—0
Show:102550
← PrevPage 1 of 13Next →

No leaderboard results yet.