NeurIPS 2022 is being updated continuously. We summarized here the conference papers related to AI + bioinformatics.
[Bridge] Diffusion-based Molecule Generation with Informative Prior Bridges (Poster) [arXiv] [Paper]
[Kong's model] Molecule Generation by Principal Subgraph Mining and Assembling (Poster) [Paper]
[DrugRec] Debiased, Longitudinal and Coordinated Drug Recommendation through Multi-Visit Clinic Records (Poster) [Paper]
[ToDD] ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery (Poster) [Paper]
[RGA] Reinforced Genetic Algorithm for Structure-based Drug Design (Poster) [OpenReview] [Paper]
[DESERT] Zero-Shot 3D Drug Design by Sketching and Generating (Poster) [Paper]
[ComENet] ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs (Poster) [arXiv] [Paper] [Code]
[MoleOOD] Learning Substructure Invariance for Out-of-Distribution Molecular Representations (Poster) [Paper]
[Graphein] Graphein - a Python Library for Geometric Deep Learning and Network Analysis on Biomolecular Structures and Interaction Networks (Poster) [OpenReview] [Paper] [Code]
[GNNs] Does GNN Pretraining Help Molecular Representation? (Poster) [arXiv] [Paper]
[Verma's model] Modular Flows: Differential Molecular Generation (Poster) [Paper]
[RMCF] Regularized Molecular Conformation Fields (Poster) [Paper]
[PLMs] Exploring evolution-based & -free protein language models as protein function predictors (Poster) [arXiv] [Paper]
[PLNet] Estimating graphical models for count data with applications to single-cell gene network (Poster) [Paper]
[chemCPA] Predicting Single-Cell Perturbation Responses for Unseen Drugs (Poster) [arXiv] [Paper] [Code]
[ProbTransformer] Probabilistic Transformer: Modelling Ambiguities and Distributions for RNA Folding and Molecule Design (Poster) [arXiv] [Paper]
[TANKBind] TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction (Poster) [bioRxiv] [Paper]
[Weinstein's model] Non-identifiability and the Blessings of Misspecification in Models of Molecular Fitness (Poster) [bioRxiv] [Paper]