Popular repositories

1. mof-generation-at-scale mof-generation-at-scale Public

   Create new MOFs by combining generative AI and simulation on HPC

   Python 16 4

2. FLoX-prototype FLoX-prototype Public

   Python library for serverless Federated Learning experiments.

   Python 15 1

3. toxicity-prediction toxicity-prediction Public

   Collection of machine learning models for predicting toxicity of molecules

   Jupyter Notebook 7 2

4. covid-analyses covid-analyses Public

   Python 7

5. arxiv-synth arxiv-synth Public

   Jupyter Notebook 7

6. g4mp2-atomization-energy g4mp2-atomization-energy Public

   Models for predicting the atomization energy of molecules at G4MP2-level accuracy

   Jupyter Notebook 6 2