PinnedNathan C. Frey, PhDinTowards Data ScienceModeling Protein-Ligand Interactions with Atomic Convolutional Neural NetworksExploit local structure of three-dimensional molecular complexes to predict binding affinities6 min read·Mar 17, 2021--3--3
Nathan C. Frey, PhDinTowards Data ScienceFastFlows: Flow-Based Models for Molecular Graph GenerationDeep learning invertible transformations for efficient generative modeling8 min read·Feb 14, 2022----
Nathan C. Frey, PhDinTowards Data ScienceMoleculeNet Part 1: Datasets for Deep Learning in the Chemical and Life Sciences5 min read·May 17, 2021----
Nathan C. Frey, PhDinTowards Data ScienceHow and why to share scientific codeA simple guide to reproducible research without becoming a software engineer6 min read·Apr 15, 2021----
Nathan C. Frey, PhDWhat is Materials Science?Why materials science is a mystery to most people and why it’s important4 min read·Feb 15, 2021----
Nathan C. Frey, PhDinTowards Data ScienceGetting Started in Materials InformaticsHow to get started doing research in materials informatics (data science + materials science).6 min read·Jan 20, 2021--3--3
Nathan C. Frey, PhDQuantum MOMsSearching for materials with multiple quantum properties5 min read·Dec 14, 2020----
Nathan C. Frey, PhDinTowards Data SciencePositive and Unlabeled Materials Machine LearningHow semi-supervised learning is used to accelerate materials synthesis8 min read·Nov 18, 2020----
Nathan C. Frey, PhDQuantum and brain-like technologies with “defective” materialsMachine learning and physics-based simulations to design materials with defects5 min read·Sep 18, 2020----
Nathan C. Frey, PhDReview: Something Deeply HiddenSomething Deeply Hidden by Sean Carroll is really good and you should buy it.4 min read·Sep 2, 2020----