| Reinforcement Learning for Molecular Dynamics Optimization: A Stochastic Pontryagin Maximum Principle Approach | Dec 6, 2022 | Decision MakingDrug Discovery | CodeCode Available | 0 |
| Protein Language Models and Structure Prediction: Connection and Progression | Nov 30, 2022 | Drug DesignLanguage Modelling | CodeCode Available | 1 |
| Applying Deep Reinforcement Learning to the HP Model for Protein Structure Prediction | Nov 27, 2022 | Deep Reinforcement LearningProtein Folding | CodeCode Available | 0 |
| Galactica: A Large Language Model for Science | Nov 16, 2022 | AnachronismsBias Detection | CodeCode Available | 4 |
| An Efficient MCMC Approach to Energy Function Optimization in Protein Structure Prediction | Nov 6, 2022 | CPUDrug Design | CodeCode Available | 0 |
| Geometry-Complete Perceptron Networks for 3D Molecular Graphs | Nov 4, 2022 | Graph Neural NetworkGraph Representation Learning | CodeCode Available | 1 |
| E3Bind: An End-to-End Equivariant Network for Protein-Ligand Docking | Oct 12, 2022 | Drug DiscoveryProtein Structure Prediction | —Unverified | 0 |
| State-specific protein-ligand complex structure prediction with a multi-scale deep generative model | Sep 30, 2022 | BenchmarkingBlind Docking | CodeCode Available | 2 |
| A Graph Neural Network Approach to Automated Model Building in Cryo-EM Maps | Sep 30, 2022 | Graph Neural NetworkProtein Structure Prediction | CodeCode Available | 1 |
| Protein structure generation via folding diffusion | Sep 30, 2022 | DenoisingProtein Structure Prediction | CodeCode Available | 2 |
| Secondary Protein Structure Prediction Using Neural Networks | Aug 24, 2022 | PredictionProtein Structure Prediction | CodeCode Available | 0 |
| Unsupervisedly Prompting AlphaFold2 for Few-Shot Learning of Accurate Folding Landscape and Protein Structure Prediction | Aug 20, 2022 | DenoisingFew-Shot Learning | CodeCode Available | 0 |
| HelixFold-Single: MSA-free Protein Structure Prediction by Using Protein Language Model as an Alternative | Jul 28, 2022 | Language ModelingLanguage Modelling | CodeCode Available | 0 |
| HelixFold: An Efficient Implementation of AlphaFold2 using PaddlePaddle | Jul 12, 2022 | Protein Structure Prediction | CodeCode Available | 0 |
| PSP: Million-level Protein Sequence Dataset for Protein Structure Prediction | Jun 24, 2022 | DiversityPrediction | CodeCode Available | 0 |
| Direct Generation of Protein Conformational Ensembles via Machine Learning | Jun 19, 2022 | BIG-bench Machine LearningBiomedical Information Retrieval | —Unverified | 0 |
| PEER: A Comprehensive and Multi-Task Benchmark for Protein Sequence Understanding | Jun 5, 2022 | Feature EngineeringMulti-Task Learning | CodeCode Available | 1 |
| Robust deep learning based protein sequence design using ProteinMPNN | Jun 4, 2022 | Deep LearningDrug Discovery | CodeCode Available | 3 |
| What is an equivariant neural network? | May 15, 2022 | Protein Structure Prediction | —Unverified | 0 |
| MAS2HP: A Multi Agent System to Predict Protein Structure in 2D HP model | May 11, 2022 | Protein Structure Prediction | CodeCode Available | 0 |
| Generative De Novo Protein Design with Global Context | Apr 21, 2022 | Protein DesignProtein Structure Prediction | CodeCode Available | 1 |
| Capturing the geometry, function, and evolution of enzymes with 3D templates | Mar 5, 2022 | Protein Structure Prediction | —Unverified | 0 |
| FastFold: Reducing AlphaFold Training Time from 11 Days to 67 Hours | Mar 2, 2022 | Protein Structure PredictionTranslation | CodeCode Available | 2 |
| Numeric Lyndon-based feature embedding of sequencing reads for machine learning approaches | Feb 28, 2022 | BIG-bench Machine LearningProtein Structure Prediction | —Unverified | 0 |
| ProteinBERT: a universal deep-learning model of protein sequence and function | Feb 10, 2022 | Language ModelingLanguage Modelling | CodeCode Available | 2 |
