AdrianM0

PhD student at @lamalab-org

FSU Jena

Pinned Repositories

auto-qchem
Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
Language:Python0 0 00
chemnlp
ChemNLP project
Language:Python0 0 00
ChemPlot
A python package for chemical space visualization.
Language:Jupyter Notebook0 0 00
chemspax
A Python tool for local chemical space exploration of any structure based on their 3D geometry
Language:Python0 0 00
mr-data-converter
Set your spreadsheet data free.
Language:JavaScript0 0 00
chemspax
A Python tool for local chemical space exploration of any structure based on their 3D geometry
Language:Python10 6 105
molformer
Repository for MolFormer
Language:Jupyter Notebook218 10 1839
chem-bench
How good are LLMs at chemistry?
Language:Jupyter Notebook36 2 1991
chembench-paper
Language:Python12 2 80
chemnlp
ChemNLP project
Language:Python139 3 25046

AdrianM0's Repositories

AdrianM0/auto-qchem
Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
Language:Python0 0 00
AdrianM0/chemnlp
ChemNLP project
Language:Python0 0 00
AdrianM0/ChemPlot
A python package for chemical space visualization.
Language:Jupyter Notebook0 0 00
AdrianM0/chemspax
A Python tool for local chemical space exploration of any structure based on their 3D geometry
Language:Python0 0 00
AdrianM0/mr-data-converter
Set your spreadsheet data free.
Language:JavaScript0 0 00