ABorrel

RealityConvert

MDQSAR-imatinib

Scripts used to build the dataset used for the MD QSAR analysis.

CompDESC

Scripts to compute ligand molecular descriptors.

chemmaps-InterPred-Bodymap

interferences

Sources used to analysis and develop the QSAR model for chemical interference project in the Tox21

cardiotox_hERG

Scripts used to process assay results targeting hERG

Tox21BodyMap

Scripts used to create the Tox21BodyMap dataset

ToxCastLib

Library python to load, parse and work on the ToxCast from the inVitro DB

breast_tissue_modeling

Set of script used to model the breast tissues and its exposition for carcinogen

chemmaps_data-process

Suite of scripts used to mining data for chemmaps

conformal-prediction

Lightweight, useful implementation of conformal prediction on real data.

CPDatSSI

Scripts used to find exposure from CPDat database

cytotox

DeepCarc

DeepDILI

git_test2

Descriptrion here

LSRs

Computational workflow to mine the PDB for local structural replacements

pdb

QSAR-fluoroquinolones

Scripts used to model fluoroquinolones compounds from the ChEMBL

QSAR-QSPR

R scripts to generate QSAR-QSPR models

saltbridges

StructuralAnalysisE2upP4up

sysrev

sysrev

tuto_git

This is a example of github project