Magdalena Lederbauer's Projects
🤖🌊 aiFlows: The building blocks of your collaborative AI
a curated list of resources for everyone interested in learning about digital chemistry
bytesizedchem.com – A Digital Chemistry Atlas
learning catalysis engineering with LLM generated knowledge graphs
take a pile of papers and create a retrievable database
template for pure Python libraries. As simple as possible. No magic.
DSPy: The framework for programming—not prompting—foundation models
elementle - guess an element, wor(l)dle style
create a glossary out of your manuscript in materials and chemistry – instantly
The Programmable Neuro-Symbolic AGI that lets you program its behavior using Graph-based Prompt Programming: for people who want AI to behave as expected
Encoding MS/MS spectra using formula transformers for inferring molecular properties
Predicting tandem mass spectra from molecules
Crafting Catalysts from NMR Features, Ligand by Ligand
Optimal Drug Synthesis Condition Searching Conversational AI
Convert an xyz file into a molecular graph and create a 3D visualisation of the graph. Plot CSA principal components.
Data Processing Scripts for Yaw's Handbook of Thermodynamic and Physical Properties of Chemical Compounds