ScottCoffin

ScottCoffin's Stars

• ur-whitelab/chemcrow-public

  Chemcrow

  Language:Python7061821105

• microsoft/FS-Mol

  FS-Mol is A Few-Shot Learning Dataset of Molecules, containing molecular compounds with measurements of activity against a variety of protein targets. The dataset is presented with a model evaluation benchmark which aims to drive few-shot learning research in the domain of molecules and graph-structured data.

  Language:Python163121123

• melloddy/SparseChem

  Fast and accurate machine learning models for biochemical applications.

  Language:Python557511

• USEPA/CompTox-PK-CvTdb

  Language:Python21818

• StyrbjornKall/TRIDENT

  A collection of transformer-based models and developmental scripts presented in the publication "Transformers enable accurate prediction of acute and chronic chemical toxicity in aquatic organisms".

  Language:Jupyter Notebook11302

• tnbrowncontam/ifsqsar

  Language:Python11102

• ToxPi/toxpiR

  toxpiR R package for the Toxicological Priority Index (ToxPi) algorithm.

  Language:R11294

• USEPA/ctxR

  Utilities for Interacting with the CTX APIs in R without prior API knowledge https://www.epa.gov/comptox-tools/computational-toxicology-and-exposure-apis

  Language:R102235

• bioinformatics-cdac/MolToxPred

  Machine Learning based toxicity prediction tool for small molecules.

  Language:Jupyter Notebook8222

• USEPA/CompTox-ExpoCast-invivoPKfit

  Language:R8504

• ScitoVation/plethem

  Language:R7875

• GMPtk/RVis

  Open access PBPK modelling platform

  Language:C#65171

• echo-air-model/echo-air

  A repository of scripts used for converting emissions to concentrations and health impacts using the InMAP Source-Receptor Matrix

  Language:Python31360

• USEPA/BMDS-UI

  U.S. EPA Benchmark Dose Modeling Software User Interface (BMDS Desktop and BMDS Online)

  Language:CSS32

• abtassociates/pfas-pbpk-estimator

  R code for estimator in https://doi.org/10.1016/j.envint.2023.107974

  Language:R2302

• iPFAS/fu

  Language:Jupyter Notebook2001

• KSUICCM/PFOS

  Language:R2101

• michaelriedl/MP-Watanabe-Predicting-Fup

  Reproducing results from Watanabe et al. 2018

  Language:Python20

• USEPA/CompTox-PFASHalfLife

  Language:R2213

• erysimumcap/pfas-pbpk-estimator

  Shortcut to public repository for model code supporting: "Community-facing toxicokinetic models to estimate PFAS serum levels based on life history and drinking water exposure"

  1200

• kpaulfriedman/CompTox-MGR-DEV-specificity

  This code accompanies the Browne et al. manuscript, "The elephant in the room: how we evaluate adverse chemical effects." This code uses data from the public database ToxRefDB v2.1 to understand the categories of endpoints observed at the adverse effect level (critical effect level) in multi-generation reproduction and prenatal development studies.

  Language:HTML1

• lZhao-Git/CatNet

  Language:Python1

• patlewig/liver-ml

  Language:Jupyter Notebook110

• patlewig/nts_pfas

  Language:Jupyter Notebook1

• patlewig/read-across

  Language:Jupyter Notebook110

• richardjudson/toxvaldbBMDh

  Language:R1

• SCCWRP/human_mp_tox_shiny-

  Toxicity of Microplastics Explorer for Human Health

  Language:R1100

• SilentSpringInstitute/Kay-et-al-EHP-2024

  Breast cancer-relevant chemicals

  Language:R1200

• wfsrqivive/PBK_exp_variation

  Language:R1

• wfsrqivive/pbktool

  Language:R1111