mlederbauer
Visiting Graduate Student at MIT @coleygroup | Master student at ETH Zurich | Digital Chemistry
MIT | ETH ZurichMassachusetts, USA
Pinned Repositories
awesome-learning-digital-chemistry
a curated list of resources for everyone interested in learning about digital chemistry
bytesizedchem
bytesizedchem.com – A Digital Chemistry Atlas
CatBase
take a pile of papers and create a retrievable database
coleygroup.github.io
Coley Research Group website
copier-template
my go-to customizable template for python-based projects, copy in 1 line.
dl-chem-101
Example implementations of common machine learning projects in chemistry.
dl-chem-101-stripped
A fork of `dl-chem-101` stripped of comments and docstrings for an exercise in adding documentation.
glossagen
create a glossary out of your manuscript in materials and chemistry – instantly
mlederbauer.github.io
Personal website & research portfolio
NMRcraft
Crafting Catalysts from NMR Features, Ligand by Ligand
mlederbauer's Repositories
mlederbauer/awesome-learning-digital-chemistry
a curated list of resources for everyone interested in learning about digital chemistry
mlederbauer/glossagen
create a glossary out of your manuscript in materials and chemistry – instantly
mlederbauer/NMRcraft
Crafting Catalysts from NMR Features, Ligand by Ligand
mlederbauer/CatBase
take a pile of papers and create a retrievable database
mlederbauer/bsc-tutorials
Tutorials for published BSC posts – Toward a Digital Chemistry Atlas
mlederbauer/bytesizedchem
bytesizedchem.com – A Digital Chemistry Atlas
mlederbauer/catalynk
learning catalysis engineering with LLM generated knowledge graphs
mlederbauer/coleygroup.github.io
Coley Research Group website
mlederbauer/copier-template
my go-to customizable template for python-based projects, copy in 1 line.
mlederbauer/dl-chem-101
Example implementations of common machine learning projects in chemistry.
mlederbauer/dl-chem-101-stripped
A fork of `dl-chem-101` stripped of comments and docstrings for an exercise in adding documentation.
mlederbauer/dspy
DSPy: The framework for programming—not prompting—foundation models
mlederbauer/elementle
elementle - guess an element, wor(l)dle style
mlederbauer/mlederbauer.github.io
Personal website & research portfolio
mlederbauer/mist
Encoding MS/MS spectra using formula transformers for inferring molecular properties
mlederbauer/ml_publication_charts
mlederbauer/ms-pred
Predicting tandem mass spectra from molecules
mlederbauer/pub-ready-plots
Agustinus' very opiniated publication-ready plotting library
mlederbauer/sac-action-extraction
Extraction of single-atom catalyst synthesis actions with transformers.
mlederbauer/scikit-learn
scikit-learn: machine learning in Python
mlederbauer/syn-search
Optimal Drug Synthesis Condition Searching Conversational AI
mlederbauer/xyz2graphCSA
Convert an xyz file into a molecular graph and create a 3D visualisation of the graph. Plot CSA principal components.
mlederbauer/yaw_data_processing
Data Processing Scripts for Yaw's Handbook of Thermodynamic and Physical Properties of Chemical Compounds