The Database Infrastructure for Mass Spectrometry (DIMSpec) project

Data hub and data tool repository related to the NIST PFAS Program.

Data of PFAS-related lawsuits used to produce the May 23, 2022 Bloomberg Law story, "Companies Face Billions in Damages as PFAS Lawsuits Flood Courts"

Data-driven discovery of linear molecular probes with optimal selective affinity for PFAS in water

Core scripts for FluoroMatch, LipidMatch, and PolyMatch

This repository provides the code for machine learning models predicting the partitioning coefficient of PFASs and all associated raw datasets.

34759 Perception for Autonomous Systems - Final Project

QueueTY (pronounced Cutie, short for Queue, Thank You) is a program that enables users to automate computational calculations of molecules using Vconf, turbomole and COSMOtherm.

PFAS Talk

Sidian's webpage