Learning something..
Researcher at ETH Zurich, working on Generative ML for Chemistry, Drug Discovery and Materials.
Highlights
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TransforMol
TransforMol PublicA Generative Transformer Model + LLM Agent as an Expert for Molecules
Jupyter Notebook 2
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mlff
mlff PublicInformation of Foundation Machine Learning Force Field for Chemistry and Drug Discovery
Jupyter Notebook
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symreg-cv
symreg-cv PublicSymbolic Regression Generative Model for Collective Variables-based Enhanced Sampling
Jupyter Notebook
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