| First-passage times in complex energy landscapes: a case study with nonmuscle myosin II assembly | Apr 7, 2022 | Protein Folding | —Unverified | 0 |
| A 23 MW data centre is all you need | Mar 31, 2022 | AllBoard Games | —Unverified | 0 |
| Disentangled Spatiotemporal Graph Generative Models | Feb 28, 2022 | DisentanglementFunctional Connectivity | —Unverified | 0 |
| From evolution to folding of repeat proteins | Feb 24, 2022 | Protein Folding | —Unverified | 0 |
| Collective Variable for Metadynamics Derived from AlphaFold Output | Feb 17, 2022 | PredictionProtein Folding | —Unverified | 0 |
| Prompt-Guided Injection of Conformation to Pre-trained Protein Model | Feb 7, 2022 | Language ModelingLanguage Modelling | —Unverified | 0 |
| DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations | Jan 24, 2022 | BenchmarkingDrug Discovery | CodeCode Available | 0 |
| GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules | Jan 12, 2022 | Graph Representation Learningmolecular representation | —Unverified | 0 |
| RoMA: a Method for Neural Network Robustness Measurement and Assessment | Oct 21, 2021 | Protein Folding | —Unverified | 0 |
| Protein Folding Neural Networks Are Not Robust | Sep 9, 2021 | Adversarial AttackProtein Folding | —Unverified | 0 |
| Variational embedding of protein folding simulations using gaussian mixture variational autoencoders | Aug 27, 2021 | Dimensionality ReductionProtein Folding | —Unverified | 0 |
| Exploring generative atomic models in cryo-EM reconstruction | Jul 3, 2021 | Protein Folding | —Unverified | 0 |
| Embedding Principle of Loss Landscape of Deep Neural Networks | May 30, 2021 | Protein Folding | —Unverified | 0 |
| Protein folding simulations in the hydrophobic-polar model using a hybrid cuckoo search algorithm | May 22, 2021 | Protein Folding | —Unverified | 0 |
| EBM-Fold: Fully-Differentiable Protein Folding Powered by Energy-based Models | May 11, 2021 | DenoisingProtein Folding | —Unverified | 0 |
| Predictive landscapes hidden beneath biological cellular automata | May 5, 2021 | Protein Folding | —Unverified | 0 |
| Quadratic Optimization-Based Nonlinear Control for Protein Conformation Prediction | Apr 27, 2021 | Protein Folding | —Unverified | 0 |
| Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations | Apr 10, 2021 | Protein Folding | —Unverified | 0 |
| Mimetic Neural Networks: A unified framework for Protein Design and Folding | Feb 7, 2021 | BIG-bench Machine LearningProtein Design | —Unverified | 0 |
| QFold: Quantum Walks and Deep Learning to Solve Protein Folding | Jan 25, 2021 | Deep LearningProtein Folding | CodeCode Available | 0 |
| Analyzing the Performance of Graph Neural Networks with Pipe Parallelism | Dec 20, 2020 | BIG-bench Machine LearningDeep Learning | —Unverified | 0 |
| Exact Reduction of Huge Action Spaces in General Reinforcement Learning | Dec 18, 2020 | BinarizationGeneral Reinforcement Learning | —Unverified | 0 |
| The finite size effects and the two-state paradigm of protein folding | Oct 26, 2020 | Protein Folding | —Unverified | 0 |
| Disentangled Dynamic Graph Deep Generation | Oct 14, 2020 | Graph GenerationProtein Folding | CodeCode Available | 0 |
| The role of hydrophobic interactions in folding of β-sheets | Sep 16, 2020 | Protein Folding | —Unverified | 0 |