Pinned Repositories
air_poll_lockdown_modelling
AutoDock-Vina
AutoDock Vina
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
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
pychemflow
An automated pre-processing pipeline in Python for reproducible machine learning on chemical data
pyspark_rdkit
Repository following research activities in big data cheminformatics.
solubility
mariolovric's Repositories
mariolovric/solubility
mariolovric/pychemflow
An automated pre-processing pipeline in Python for reproducible machine learning on chemical data
mariolovric/air_poll_lockdown_modelling
mariolovric/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
mariolovric/pyspark_rdkit
Repository following research activities in big data cheminformatics.
mariolovric/AutoDock-Vina
AutoDock Vina
mariolovric/EquiBind
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
mariolovric/mariolovric.github.io
personal web
mariolovric/mk202
mariolovric/modeliranje-tutorial
Tutorijal za casopis Kemija u Industriji
mariolovric/stilovi_citiranja
Stilovi citiranja za import u Mendeley
mariolovric/street_canyon_models
Models accompanying the publicaton https://doi.org/10.1016/j.envpol.2020.114587
mariolovric/zebrafish_qsar
Model storage and prediction.