PinnedNathan C. Frey, PhDinTowards Data ScienceModeling Protein-Ligand Interactions with Atomic Convolutional Neural NetworksExploit local structure of three-dimensional molecular complexes to predict binding affinitiesMar 17, 20213Mar 17, 20213
Nathan C. Frey, PhDinTowards Data ScienceFastFlows: Flow-Based Models for Molecular Graph GenerationDeep learning invertible transformations for efficient generative modelingFeb 14, 2022Feb 14, 2022
Nathan C. Frey, PhDinTowards Data ScienceMoleculeNet Part 1: Datasets for Deep Learning in the Chemical and Life SciencesMay 17, 2021May 17, 2021
Nathan C. Frey, PhDinTowards Data ScienceHow and why to share scientific codeA simple guide to reproducible research without becoming a software engineerApr 15, 2021Apr 15, 2021
Nathan C. Frey, PhDWhat is Materials Science?Why materials science is a mystery to most people and why it’s importantFeb 15, 2021Feb 15, 2021
Nathan C. Frey, PhDinTowards Data ScienceGetting Started in Materials InformaticsHow to get started doing research in materials informatics (data science + materials science).Jan 20, 20213Jan 20, 20213
Nathan C. Frey, PhDQuantum MOMsSearching for materials with multiple quantum propertiesDec 14, 2020Dec 14, 2020
Nathan C. Frey, PhDinTowards Data SciencePositive and Unlabeled Materials Machine LearningHow semi-supervised learning is used to accelerate materials synthesisNov 18, 2020Nov 18, 2020
Nathan C. Frey, PhDQuantum and brain-like technologies with “defective” materialsMachine learning and physics-based simulations to design materials with defectsSep 18, 2020Sep 18, 2020
Nathan C. Frey, PhDReview: Something Deeply HiddenSomething Deeply Hidden by Sean Carroll is really good and you should buy it.Sep 2, 2020Sep 2, 2020