https://github.com/choderalab/knowledge-base
A repository for Chodera Lab members to get up to speed on the foundational knowledge necessary for getting the most out of the lab!
https://github.com/choderalab/timemachine_hydration_paper
Differentiate all the things!
https://github.com/choderalab/drug-gym
Reinforcement learning environments for drug discovery
https://github.com/choderalab/tautomer-data
A repo that includes all the data for the 'Fitting quantum machine learning potentials to experimental free energy data: Predicting tautomer ratios in solution' manuscript
open-text-embeddings
Open Source Text Embedding Models with OpenAI Compatible API
gameophiles-unlimited-jigsaw-puzzles-gh
A collection of jigsaw puzzles from a New Jersey-based manufacturer active in the early to mid-1970s.
geoprofiler
Creates Swath profiles and Distance vs X plots by measuring the accurate distances parallel and perpendicular to user-defined lines
https://github.com/choderalab/thermo-length-learning
database of relative hydration free energies and their variances
https://github.com/choderalab/rbd-ab-contact-analysis
Code and workflow for running MD simulations on Folding@home to analyze RBD:Ab contacts
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.
https://github.com/choderalab/pl-benchmark-espaloma-experiment
Alchemical protein-ligand benchmark experiment using Perses and espaloma force field
