| 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 |
| ParaFold: Paralleling AlphaFold for Large-Scale Predictions | Nov 11, 2021 | CPUGPU | CodeCode Available | 1 |
| 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 |
| Highly accurate protein structure prediction with AlphaFold | Jul 15, 2021 | PredictionProtein Folding | CodeCode Available | 3 |
| 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 |
| Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gauges | Apr 27, 2021 | Deep LearningProtein Folding | CodeCode Available | 2 |
| Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations | Apr 10, 2021 | Protein Folding | —Unverified | 0 |
| Rethinking Neural Operations for Diverse Tasks | Mar 29, 2021 | AutoMLImage Classification | CodeCode Available | 1 |
| 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 |
| TorchMD: A deep learning framework for molecular simulations | Dec 22, 2020 | BIG-bench Machine LearningDeep Learning | CodeCode Available | 1 |
| 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 |
| Protein Folding/Unfolding Phenomenon is originated by Synchronization/Desynchronization of Instantaneously Induced Oscillating Dipoles. A Hypothesis | Sep 4, 2020 | Protein Folding | —Unverified | 0 |
| Unsupervised and Supervised Structure Learning for Protein Contact Prediction | Aug 31, 2020 | DiversityPrediction | —Unverified | 0 |