reverie/eng
  • Home
  • Main Site

Cheminformatics

Mapping Chemical Space with UMAP

Mapping Chemical Space with UMAP

Exploration of Chemical Datasets using UMAP. Detailed analysis of how UMAP embeds a MoleculeNet dataset and practical uses for UMAP at Reverie Labs.
Elana Simon Apr 6, 2021
Building a Global PDB Repository

Building a Global PDB Repository

In this post, we’ll discuss how we manage and process PDBs, a critical chemical data filetype that encodes the 3-D structure of proteins. What is a PDB? At Reverie, we use 3D protein structural data for many applications - medicinal chemists evaluating structure-activity relationships, computational chemists running molecular dynamics
Sophia Tabchouri Mar 4, 2021
  • Sign up
reverie/eng © 2023. Powered by Ghost