Rokas Elijosius's repositories
mace-mp-umap
UMAP analysis using a pretrained MACE model
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Language:PythonMIT000
mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Language:PythonNOASSERTION000
Language:PythonMIT000
molplotly
add-on to plotly which show molecule images on mouseover!
Language:HTMLApache-2.0000
The-Documentation-Compendium
📢 Various README templates & tips on writing high-quality documentation that people want to read.
000
Uselfuls_Scripts
python scripts useful to users of computational chemistry software
Language:Python000