Learning something..
Researcher at ETH Zurich, working on ML for chemistry, drug discovery and materials.
Highlights
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mlff
mlff PublicInformation of Foundation Machine Learning Force Field for Realistic Chemistry and Biology
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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AWS-HPC
AWS-HPC PublicInfo about AWS ParallelCluster for high-performance molecular dynamics simulations
Shell
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