Updated 9 months ago
https://github.com/choderalab/thermo-length-learning
database of relative hydration free energies and their variances
Updated 9 months ago
https://github.com/choderalab/rbd-ab-contact-analysis
Code and workflow for running MD simulations on Folding@home to analyze RBD:Ab contacts
Updated 9 months ago
https://github.com/choderalab/sampl6-logp-challenge-virtual-workshop
This repository contains slide decks of presentations that took place in SAMPL6 logP Challenge Virtual Workshop on May 16th, 2019.
Updated 9 months ago
https://github.com/choderalab/pl-benchmark-espaloma-experiment
Alchemical protein-ligand benchmark experiment using Perses and espaloma force field
Updated 10 months ago
ns-landau-quantization
Public-facing repository for emissivity and opacity calculations incorporating Landau quantization
Updated 10 months ago
laypa
Layout analysis to find layout elements in documents (similar to P2PaLA)