mariolovric

solubility

pychemflow

An automated pre-processing pipeline in Python for reproducible machine learning on chemical data

air_poll_lockdown_modelling

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

pyspark_rdkit

Repository following research activities in big data cheminformatics.

AutoDock-Vina

AutoDock Vina

EquiBind

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

mariolovric.github.io

personal web

mk202

modeliranje-tutorial

Tutorijal za casopis Kemija u Industriji

stilovi_citiranja

Stilovi citiranja za import u Mendeley

street_canyon_models

Models accompanying the publicaton https://doi.org/10.1016/j.envpol.2020.114587

zebrafish_qsar

Model storage and prediction.