Instruct: Given a scientific paper title, retrieve paper titles that are cited by the given paper
Query: DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
scalable molecular dynamics with namd .
Abnormal detection using interaction energy potentials
Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz
Adaptive exploration for large-scale protein analysis in the molecular dynamics database
Strong scaling of general-purpose molecular dynamics simulations on GPUs
Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks
Perspective on density functional theory
ChemTS: An Efficient Python Library for de novo Molecular Generation
Scaling up Deep Learning for PDE-based Models
Neural Message Passing for Quantum Chemistry
Molecular generative model based on conditional variational autoencoder for de novo molecular design
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
software news and updates carma : a molecular dynamics analysis program .
Bridging Many-Body Quantum Physics and Deep Learning via Tensor Networks
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
Scalable algorithms for molecular dynamics simulations on commodity clusters
deep learning and the schrodinger equation .
Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials
Constrained Graph Variational Autoencoders for Molecule Design
Deep learning for single-molecule science
A 12Gb/s, 8.6µApp input sensitivity, monolithic-integrated fully differential optical receiver in CMOS 45nm SOI process
Benchmarking 6DOF Urban Visual Localization in Changing Conditions
Extracting and composing robust features with denoising autoencoders
A model-based framework: an approach for profit-driven optimization
Stresses and coping strategies of Chinese families with children with autism and other developmental disabilities.